N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 640335
• Molecular Formular: C15H16N6O
• Molecular Mass: 296.32714
• Monoisotopic Mass: 296.13855916
• SMILES: c12C(C(=O)NCc3c4n(nc3)cccc4)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCc1cnn2c1cccc2
• InChI: InChI=1S/C15H16N6O/c22-15(14-13-11(4-5-16-14)18-9-19-13)17-7-10-8-20-21-6-2-1-3-12(10)21/h1-3,6,8-9,14,16H,4-5,7H2,(H,17,22)(H,18,19)
• InChIKey: ZEYTZTVMIUAIQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.841462
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3479171
• LogD (pH = 7.4): -0.20867857
• Log P: -0.10875355
• Molar Refractivity: 92.2676 cm^3
• Polarizability: 31.48838 Å^3
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.14
• LOG S: -1.7
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 3