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

• ChemBase ID: 716727
• Molecular Formular: C29H33N5O2
• Molecular Mass: 483.60462
• Monoisotopic Mass: 483.26342532
• SMILES: c12c(nn(c1CCN(C2)Cc1c([nH]c2c1cccc2)C)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1c(C)[nH]c2c1cccc2)C(=O)NC1CC1
• InChI: InChI=1S/C29H33N5O2/c1-19-24(23-5-3-4-6-26(23)30-19)17-33-15-14-27-25(18-33)28(29(35)31-21-9-10-21)32-34(27)16-13-20-7-11-22(36-2)12-8-20/h3-8,11-12,21,30H,9-10,13-18H2,1-2H3,(H,31,35)
• InChIKey: ZXCMZPMMUBEVJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.21643
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5723327
• LogD (pH = 7.4): 3.3095562
• Log P: 3.8776815
• Molar Refractivity: 154.2955 cm^3
• Polarizability: 55.05879 Å^3
• Polar Surface Area: 75.18 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 4.01
• LOG S: -6.76
• Polar Surface Area: 75.18 Å^2
• Rotatable Bonds: 7