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

• ChemBase ID: 364658
• Molecular Formular: C19H17N5O
• Molecular Mass: 331.37118
• Monoisotopic Mass: 331.14331019
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C19H17N5O/c1-22(19(25)18-5-2-4-17-10-12-21-24(17)18)14-15-6-8-16(9-7-15)23-13-3-11-20-23/h2-13H,14H2,1H3
• InChIKey: STMKRJXWODFHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5313566
• LogD (pH = 7.4): 2.5314667
• Log P: 2.5314682
• Molar Refractivity: 107.7015 cm^3
• Polarizability: 37.14605 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.57
• LOG S: -2.96
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4