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

• ChemBase ID: 544640
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(OC)ccc1)C)C(=O)NCc1ccccc1
• Canonical SMILES: COc1cccc(c1)CN1CCc2c(C1)c(nn2C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C23H26N4O2/c1-26-21-11-12-27(15-18-9-6-10-19(13-18)29-2)16-20(21)22(25-26)23(28)24-14-17-7-4-3-5-8-17/h3-10,13H,11-12,14-16H2,1-2H3,(H,24,28)
• InChIKey: NIIRDFRHSXFTLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.091645
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.362985
• LogD (pH = 7.4): 2.69307
• Log P: 2.8251324
• Molar Refractivity: 126.0931 cm^3
• Polarizability: 43.36239 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.09
• LOG S: -4.71
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5