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

• ChemBase ID: 677747
• Molecular Formular: C20H28N6O2
• Molecular Mass: 384.47532
• Monoisotopic Mass: 384.22737417
• SMILES: c12c(nn(c1CCN(C(=O)c1nc[nH]c1)C2)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1c[nH]cn1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C20H28N6O2/c1-13(2)10-26-17-7-8-25(20(28)16-9-21-12-22-16)11-15(17)18(24-26)19(27)23-14-5-3-4-6-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,21,22)(H,23,27)
• InChIKey: HPSJWBDEWLMSIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.871938
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4745438
• LogD (pH = 7.4): 1.4810838
• Log P: 1.4813116
• Molar Refractivity: 118.0866 cm^3
• Polarizability: 39.82878 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.44
• LOG S: -5.72
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4