Pyridinylpiperazines

Description:

Compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.

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  1. Netupitant N-Oxide
    CAS: 910808-11-6 PubChem CID: 11848838 Formula: C30H32F6N4O2 Molecular Weight: 594.59
    Out of Stock Item #: N1024117
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    IUPAC Name
    2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide
    SMILES
    CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]
    InChIKey
    FKUOVQVMCOPBJS-UHFFFAOYSA-N
    InChI
    1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9show more
  2. Fosnetupitant
    CAS: 1703748-89-3 PubChem CID: 71544786
    Out of Stock Item #: F1330415
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    IUPAC Name
    [4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl hydrogeshow more
    SMILES
    CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)[O-]
    InChIKey
    HZIYEEMJNBKMJH-UHFFFAOYSA-N
    InChI
    1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)show more
  3. Protein kinase inhibitors 1
    CAS: 1365986-44-2 PubChem CID: 132274054 Formula: C18H17N5O3S Molecular Weight: 383.4
    Out of Stock Item #: P1295985
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    IUPAC Name
    (5E)-5-[[6-oxo-5-(6-piperazin-1-ylpyridin-3-yl)-1H-pyridin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
    SMILES
    C1CN(CCN1)C2=NC=C(C=C2)C3=CC(=CNC3=O)C=C4C(=O)NC(=O)S4
    InChIKey
    YHUKWWWCNSTFHL-RIYZIHGNSA-N
    InChI
    1S/C18H17N5O3S/c24-16-13(7-11(9-21-16)8-14-17(25)22-18(26)27-14)12-1-2-15(20-10-12)23-5-3-19-4-6-23/h1-2,7-10,19H,3-6H2,(H,21,24)(H,22,25,26)/b14-8+
  4. N-Methyl Palbociclib
    CAS: 571189-51-0 PubChem CID: 5330298
    Out of Stock Item #: N1298228
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    IUPAC Name
    6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
    SMILES
    CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C)C5CCCC5)C(=O)C
    InChIKey
    PBSZUBKCQUPZFE-UHFFFAOYSA-N
    InChI
    1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,show more
  5. 2,6-Dichloro-4-(2-Piperazin-1-Ylpyridin-4-Yl)-N-(1,5-Dimethyl,3-Isobutyl-1h-Pyrazol-4-Yl)benzenesulfonamide
    CAS: 1215011-08-7 Formula: C24H30Cl2N6O2S Molecular Weight: 537.5
    Out of Stock Item #: D1259521
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    IUPAC Name
    2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-ylpyridin-4-yl)benzenesulfonamide
    SMILES
    CC1=C(C(=NN1C)CC(C)C)NS(=O)(=O)C2=C(C=C(C=C2Cl)C3=CC(=NC=C3)N4CCNCC4)Cl
    InChIKey
    WKTSLVQYGBHNRV-UHFFFAOYSA-N
    InChI
    1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11Hshow more
  6. Palbociclib 2HCl
    CAS: 571189-11-2 PubChem CID: 60167560
    Out of Stock Item #: P1294858
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    Technical Identifiers
    IUPAC Name
    6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
    SMILES
    CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl.Cl
    InChIKey
    YORIVNBSTFKZTO-UHFFFAOYSA-N
    InChI
    1S/C24H29N7O2.2ClH/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;;/h7-8,13-14,17,25H,3-6,9show more
  7. tert-Butyl 4-(2-aminopyridin-4-yl)piperazine-1-carboxylate
    CAS: 571189-23-6 PubChem CID: 75481723 Formula: C14H22N4O2 Molecular Weight: 278.35
    Out of Stock Item #: T770004
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    Technical Identifiers
    IUPAC Name
    tert-butyl 4-(2-aminopyridin-4-yl)piperazine-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC=C2)N
    InChIKey
    ICNBTOYLGTVUCE-UHFFFAOYSA-N
    InChI
    1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-16-12(15)10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
  8. N-Desmethyl Netupitant
    CAS: 290296-72-9 PubChem CID: 9915918 Formula: C29H30F6N4O Molecular Weight: 564.57
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: N768913
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    IUPAC Name
    2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]propanamide
    SMILES
    CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCNCC4
    InChIKey
    SRVSDBHUBFLSFE-UHFFFAOYSA-N
    InChI
    1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,show more
    Synonyms
    2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(piperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide | Netupitan...
  9. 3-PYRIDINAMINE,N-METHYL-4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-
    CAS: 290297-25-5 PubChem CID: 15887412 Formula: C18H24N4 Molecular Weight: 296.41
    Out of Stock Item #: P770501
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    Technical Identifiers
    IUPAC Name
    N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
    SMILES
    CC1=CC=CC=C1C2=CC(=NC=C2NC)N3CCN(CC3)C
    InChIKey
    LCQDUKXKKBAUIO-UHFFFAOYSA-N
    InChI
    1S/C18H24N4/c1-14-6-4-5-7-15(14)16-12-18(20-13-17(16)19-2)22-10-8-21(3)9-11-22/h4-7,12-13,19H,8-11H2,1-3H3
  10. WAY-605425
    CAS: 380470-06-4 PubChem CID: 2999946 Formula: C21H23N7O2 Molecular Weight: 405.45
    Out of Stock Item #: W417585
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    Technical Identifiers
    IUPAC Name
    1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridine-4-carbonitrile
    SMILES
    COC1=CC=CC=C1N2CCN(CC2)C3=C(C4=CC(=NC(=C4C(=N3)N)N)OC)C#N
    InChIKey
    QYYJWWZJGZQJQV-UHFFFAOYSA-N
    InChI
    1S/C21H23N7O2/c1-29-16-6-4-3-5-15(16)27-7-9-28(10-8-27)21-14(12-22)13-11-17(30-2)25-19(23)18(13)20(24)26-21/h3-6,11H,7-10H2,1-2H3,(H2,23,25)(H2,24,26)
    Synonyms
    1,8-diamino-6-methoxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)-2,7-naphthyridine-4-carbonitrile
  11. 3-(4-(Pyridin-2-yl)piperazin-1-yl)propanoic acid
    CAS: 104373-85-5 PubChem CID: 6485183 Formula: C12H17N3O2 Molecular Weight: 235.29
    Out of Stock Item #: P709933
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    Technical Identifiers
    IUPAC Name
    3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
    SMILES
    C1CN(CCN1CCC(=O)O)C2=CC=CC=N2
    InChIKey
    XQYZTEXKRYMSQG-UHFFFAOYSA-N
    InChI
    1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)
  12. 2-(Piperazin-1-yl)isonicotinic acid
    CAS: 914637-26-6 PubChem CID: 26967249 Formula: C10H13N3O2 Molecular Weight: 207.23
    Out of Stock Item #: I731584
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    Technical Identifiers
    IUPAC Name
    2-piperazin-1-ylpyridine-4-carboxylic acid
    SMILES
    C1CN(CCN1)C2=NC=CC(=C2)C(=O)O
    InChIKey
    RVLCNVLCYNCBEM-UHFFFAOYSA-N
    InChI
    1S/C10H13N3O2/c14-10(15)8-1-2-12-9(7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H,14,15)
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