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

• ChemBase ID: 655662
• Molecular Formular: C21H22N4O2
• Molecular Mass: 362.42498
• Monoisotopic Mass: 362.17427596
• SMILES: c12c(n[nH]c1CCN(C2)C(=O)NCc1ccccc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)NCc1ccccc1
• InChI: InChI=1S/C21H22N4O2/c1-27-17-9-5-8-16(12-17)20-18-14-25(11-10-19(18)23-24-20)21(26)22-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,22,26)(H,23,24)
• InChIKey: HOODXLPKCKVZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.963207
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.666835
• LogD (pH = 7.4): 2.666916
• Log P: 2.666917
• Molar Refractivity: 105.2702 cm^3
• Polarizability: 41.020767 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.23
• LOG S: -5.39
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3