N-cyclopentyl-4-oxo-4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}butanamide

• ChemBase ID: 505098
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)C(=O)CCC(=O)NC1CCCC1
• Canonical SMILES: O=C(NC1CCCC1)CCC(=O)N1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C21H26N4O2/c26-19(22-16-8-4-5-9-16)10-11-20(27)25-13-12-17-18(14-25)24-21(23-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,26)(H,23,24)
• InChIKey: WLHMKRZHGRSHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-oxo-4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}butanamide
• IUPAC Traditional name: N-cyclopentyl-4-oxo-4-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}butanamide
• Synonyms: N-cyclopentyl-4-oxo-4-(2-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7400055
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2210766
• LogD (pH = 7.4): 1.4527706
• Log P: 1.4567952
• Molar Refractivity: 113.729 cm^3
• Polarizability: 40.459106 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.81
• LOG S: -3.42
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 5