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

• ChemBase ID: 673508
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)C(C(=O)NC(C)C)C
• Canonical SMILES: CC(NC(=O)C(N1CCc2c(C1)nc([nH]2)c1ccccc1)C)C
• InChI: InChI=1S/C18H24N4O/c1-12(2)19-18(23)13(3)22-10-9-15-16(11-22)21-17(20-15)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,19,23)(H,20,21)
• InChIKey: MLERPUSMFAMCJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.255561
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9598746
• LogD (pH = 7.4): 1.8342704
• Log P: 1.8704668
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 35.91262 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.49
• LOG S: -3.6
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4