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

• ChemBase ID: 568937
• Molecular Formular: C27H32N4O3
• Molecular Mass: 460.56798
• Monoisotopic Mass: 460.2474409
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccc(c2occc2)cc1)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1ccc(cc1)c1ccco1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C27H32N4O3/c1-18(2)16-31-23-13-14-30(17-22(23)25(29-31)26(32)28-21-6-3-4-7-21)27(33)20-11-9-19(10-12-20)24-8-5-15-34-24/h5,8-12,15,18,21H,3-4,6-7,13-14,16-17H2,1-2H3,(H,28,32)
• InChIKey: GNRZHVIKVFOFDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-[4-(furan-2-yl)benzoyl]-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-[4-(furan-2-yl)benzoyl]-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-[4-(2-furyl)benzoyl]-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): 3.9214027
• LogD (pH = 7.4): 3.9214032
• Log P: 3.9214034
• Molar Refractivity: 143.0309 cm^3
• Polarizability: 50.774055 Å^3
• Polar Surface Area: 80.37 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: 4.45
• LOG S: -7.84
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 5