N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 563464
• Molecular Formular: C24H25N5O3
• Molecular Mass: 431.487
• Monoisotopic Mass: 431.19573969
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccncc1)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)C(=O)c1ccncc1)C(=O)NC1CC1
• InChI: InChI=1S/C24H25N5O3/c1-32-19-4-2-3-16(13-19)14-29-21-9-12-28(24(31)17-7-10-25-11-8-17)15-20(21)22(27-29)23(30)26-18-5-6-18/h2-4,7-8,10-11,13,18H,5-6,9,12,14-15H2,1H3,(H,26,30)
• InChIKey: HWLIKBYJSWLABQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-5-isonicotinoyl-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.09732
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4268141
• LogD (pH = 7.4): 1.4295847
• Log P: 1.4296203
• Molar Refractivity: 131.4765 cm^3
• Polarizability: 44.988647 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.19
• LOG S: -5.45
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 5