N-[(4-methylphenyl)(pyridin-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 478438
• Molecular Formular: C21H22N4O
• Molecular Mass: 346.42558
• Monoisotopic Mass: 346.17936134
• SMILES: c1(C(=O)NC(c2ccc(cc2)C)c2ccncc2)c2n(nc1)CCCC2
• Canonical SMILES: Cc1ccc(cc1)C(c1ccncc1)NC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C21H22N4O/c1-15-5-7-16(8-6-15)20(17-9-11-22-12-10-17)24-21(26)18-14-23-25-13-3-2-4-19(18)25/h5-12,14,20H,2-4,13H2,1H3,(H,24,26)
• InChIKey: KRLXTUUDNXTHNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methylphenyl)(pyridin-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-methylphenyl)(pyridin-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(4-methylphenyl)(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.740362
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8666842
• LogD (pH = 7.4): 2.9714408
• Log P: 2.973004
• Molar Refractivity: 113.2593 cm^3
• Polarizability: 38.339127 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -3.32
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4