3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N-(1-phenylethyl)propanamide

• ChemBase ID: 392515
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)CCC(=O)NC(c1ccccc1)C
• Canonical SMILES: O=C(NC(c1ccccc1)C)CCN1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C23H26N4O/c1-17(18-8-4-2-5-9-18)24-22(28)13-15-27-14-12-20-21(16-27)26-23(25-20)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,24,28)(H,25,26)
• InChIKey: UPXOHVBYPPGOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N-(1-phenylethyl)propanamide
• IUPAC Traditional name: 3-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N-(1-phenylethyl)propanamide
• Synonyms: N-(1-phenylethyl)-3-(2-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.256081
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.57421553
• LogD (pH = 7.4): 2.3820264
• Log P: 2.9063804
• Molar Refractivity: 121.9667 cm^3
• Polarizability: 43.685555 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.97
• LOG S: -4.47
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6