N-benzyl-5-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 714884
• Molecular Formular: C25H30N4O2
• Molecular Mass: 418.5313
• Monoisotopic Mass: 418.23687622
• SMILES: c12c(nn(c1CCN(C2)C(Cc1c(OC)cccc1)C)C)C(=O)NCc1ccccc1
• Canonical SMILES: COc1ccccc1CC(N1CCc2c(C1)c(nn2C)C(=O)NCc1ccccc1)C
• InChI: InChI=1S/C25H30N4O2/c1-18(15-20-11-7-8-12-23(20)31-3)29-14-13-22-21(17-29)24(27-28(22)2)25(30)26-16-19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3,(H,26,30)
• InChIKey: NGCFXBGCJLZNGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-5-[2-(2-methoxyphenyl)-1-methylethyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.091657
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0411407
• LogD (pH = 7.4): 2.8076725
• Log P: 3.5303688
• Molar Refractivity: 135.2669 cm^3
• Polarizability: 46.97398 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.35
• LOG S: -5.35
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6