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

• ChemBase ID: 594510
• Molecular Formular: C25H35N5O2
• Molecular Mass: 437.5777
• Monoisotopic Mass: 437.27907539
• SMILES: c12c(nn(c1CCN(C2)Cc1ccc(NC(=O)C)cc1)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)Cc1ccc(cc1)NC(=O)C)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C25H35N5O2/c1-17(2)14-30-23-12-13-29(15-19-8-10-21(11-9-19)26-18(3)31)16-22(23)24(28-30)25(32)27-20-6-4-5-7-20/h8-11,17,20H,4-7,12-16H2,1-3H3,(H,26,31)(H,27,32)
• InChIKey: BPSNVDBRWLQESR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.982014
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5809174
• LogD (pH = 7.4): 2.948096
• Log P: 3.095046
• Molar Refractivity: 140.0377 cm^3
• Polarizability: 48.294716 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.15
• LOG S: -6.09
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6