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

• ChemBase ID: 441725
• Molecular Formular: C26H34N4O3
• Molecular Mass: 450.57316
• Monoisotopic Mass: 450.26309097
• SMILES: c12c(nn(c1CCN(C(=O)C1(c3ccc(cc3)OC)CCCC1)C2)C)C(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)C(=O)N1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1
• InChI: InChI=1S/C26H34N4O3/c1-29-22-13-16-30(17-21(22)23(28-29)24(31)27-19-7-3-4-8-19)25(32)26(14-5-6-15-26)18-9-11-20(33-2)12-10-18/h9-12,19H,3-8,13-17H2,1-2H3,(H,27,31)
• InChIKey: RBMNDQMEUPSOGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-{[1-(4-methoxyphenyl)cyclopentyl]carbonyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112445
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3165333
• LogD (pH = 7.4): 3.3165343
• Log P: 3.3165343
• Molar Refractivity: 138.7495 cm^3
• Polarizability: 48.655773 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.4
• LOG S: -6.1
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4