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

• ChemBase ID: 536687
• Molecular Formular: C23H22N6O2
• Molecular Mass: 414.45978
• Monoisotopic Mass: 414.18042397
• SMILES: c12c(nn(c1CCN(C(=O)c1n[nH]c3c1cccc3)C2)C)C(=O)NCc1ccccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1n[nH]c2c1cccc2)C)NCc1ccccc1
• InChI: InChI=1S/C23H22N6O2/c1-28-19-11-12-29(23(31)21-16-9-5-6-10-18(16)25-26-21)14-17(19)20(27-28)22(30)24-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,24,30)(H,25,26)
• InChIKey: PVLIVZQSNGKWGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-(1H-indazole-3-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-(1H-indazole-3-carbonyl)-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-5-(1H-indazol-3-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.19246
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.048302
• LogD (pH = 7.4): 2.0476289
• Log P: 2.0483115
• Molar Refractivity: 129.6021 cm^3
• Polarizability: 44.713863 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.34
• LOG S: -6.54
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4