5-benzoyl-N-cyclopentyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 750196
• Molecular Formular: C23H30N4O2
• Molecular Mass: 394.5099
• Monoisotopic Mass: 394.23687622
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccccc1)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1ccccc1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C23H30N4O2/c1-16(2)14-27-20-12-13-26(23(29)17-8-4-3-5-9-17)15-19(20)21(25-27)22(28)24-18-10-6-7-11-18/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3,(H,24,28)
• InChIKey: CQEGXQDRPDWKHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzoyl-N-cyclopentyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-benzoyl-N-cyclopentyl-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-benzoyl-N-cyclopentyl-1-isobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.10557
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2139306
• LogD (pH = 7.4): 3.2139313
• Log P: 3.2139313
• Molar Refractivity: 125.5038 cm^3
• Polarizability: 42.96277 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -6.1
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4