N-{[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 553175
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1c(Cn2nccc2)cccc1
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCc1ccccc1Cn1cccn1
• InChI: InChI=1S/C19H21N5O/c25-19(17-13-22-24-11-4-3-8-18(17)24)20-12-15-6-1-2-7-16(15)14-23-10-5-9-21-23/h1-2,5-7,9-10,13H,3-4,8,11-12,14H2,(H,20,25)
• InChIKey: UWAUKPBXRFQJGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(pyrazol-1-ylmethyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[2-(1H-pyrazol-1-ylmethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.681093
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0451865
• LogD (pH = 7.4): 2.0453458
• Log P: 2.045348
• Molar Refractivity: 119.6082 cm^3
• Polarizability: 36.048862 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.45
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 5