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

• ChemBase ID: 525298
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(C(=O)N(Cc2cn(nc2)c2cc(OC)ccc2)C)c2n(nc1)CCCC2
• Canonical SMILES: COc1cccc(c1)n1ncc(c1)CN(C(=O)c1cnn2c1CCCC2)C
• InChI: InChI=1S/C20H23N5O2/c1-23(20(26)18-12-22-24-9-4-3-8-19(18)24)13-15-11-21-25(14-15)16-6-5-7-17(10-16)27-2/h5-7,10-12,14H,3-4,8-9,13H2,1-2H3
• InChIKey: ZWMJZCNUEMZEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0447688
• LogD (pH = 7.4): 2.0448372
• Log P: 2.0448382
• Molar Refractivity: 115.8138 cm^3
• Polarizability: 39.323963 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.16
• LOG S: -2.85
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 5