GNF-Pf-1701 , CAS No.307327-26-0

CAS: 307327-26-0 Cat. No.: G1009771 Summenformel: C₂₀H₂₁N₅ Molekulargewicht: 331.400

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

• Kanonisches Lächeln: CN1CCN(CC1)C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
• IUPAC Name: 16-(4-methylpiperazin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
• InChIKey: GHWWPKGEXYATFJ-UHFFFAOYSA-N
• INCHI: 1S/C20H21N5/c1-23-9-11-24(12-10-23)20-15-6-4-5-14(15)16(13-21)19-22-17-7-2-3-8-18(17)25(19)20/h2-3,7-8H,4-6,9-12H2,1H3
• Molekulargewicht: 331.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines
        • Ebene5 Pyridinylpiperazines
          • Ebene6 5-piperazinylimidazo[1,2-a]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Pyridinylpiperazines
• Direct Parent: 5-piperazinylimidazo[1,2-a]pyridines
• Alternative Parents: N-arylpiperazines Imidazo[1,2-a]pyridines Benzimidazoles Dialkylarylamines N-methylpiperazines Aminopyridines and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-piperazinylimidazo[1,2-a]pyridine - N-arylpiperazine - Imidazo[1,2-a]pyridine - Benzimidazole - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - N-substituted imidazole - Pyridine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 5-piperazinylimidazo[1,2-a]pyridines. These are aromatic heteropolycyclic compounds containing a piperidine ring that is N-linked to the 5-position of an imidazo[1,2-a]pyridine ring system.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 331.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 331.18 Da
• Monoisotopic Mass: 331.18 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 548.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1