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

CAS: 307327-26-0 Cat. No.: G1009771 Formule: C₂₀H₂₁N₅ Poids moléculaire: 331.400

Storage

Room temperature

Spécifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

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

Poids moléculaire

331.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines
        • Level5 Pyridinylpiperazines
          • Level6 5-piperazinylimidazo[1,2-a]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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