1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one - ≥97% , CAS No.1433849-94-5

CAS: 1433849-94-5 Cat. No.: M629193 Molecular Weight: 481.39 PubChem CID: 86683919

GRADE & PURITY ≥97%

Synonyms

1433849-94-5 | 1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one | (R)-1-Methyl-3-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetrameth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1433849-94-5 | 1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-one | (R)-1-Methyl-3-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-5-(4, 4, 5, 5-tetrameth

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)NC3=NC=C(C=C3)N4CCN(CC4C)C5COC5)C
• IUPAC Name: 1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• InChIKey: QPSOCEWAIBSJLT-QGZVFWFLSA-N
• INCHI: 1S/C25H36BN5O4/c1-17-13-30(20-15-33-16-20)9-10-31(17)19-7-8-22(27-12-19)28-21-11-18(14-29(6)23(21)32)26-34-24(2,3)25(4,5)35-26/h7-8,11-12,14,17,20H,9-10,13,15-16H2,1-6H3,(H,27,28)/t17-/m1/s1
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)NC3=NC=C(C=C3)N4CCN(C[C@H]4C)C5COC5)C
• PubChem CID: 86683919
• Molecular Weight: 481.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Pyridinones Dihydropyridines N-alkylpiperazines Imidolactams Boronic acid esters Dioxaborolanes Heteroaromatic compounds Trialkylamines Oxetanes Lactams Oxacyclic compounds Dialkyl ethers Organic metalloid salts Azacyclic compounds Organic oxides Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Dihydropyridine - Pyridinone - N-alkylpiperazine - Imidolactam - Pyridine - Hydropyridine - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Tertiary aliphatic amine - Tertiary amine - Oxetane - Lactam - Oxacycle - Azacycle - Organic metalloid salt - Dialkyl ether - Ether - Hydrocarbon derivative - Organic metalloid moeity - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y