N-methyl-2-phenyl-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)acetamide

• ChemBase ID: 354985
• Molecular Formular: C23H20N4O2
• Molecular Mass: 384.4305
• Monoisotopic Mass: 384.1586259
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC(C(=O)NC)c1ccccc1
• Canonical SMILES: CNC(=O)C(c1ccccc1)NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C23H20N4O2/c1-24-23(29)21(17-10-6-3-7-11-17)26-22(28)18-12-13-20-25-19(15-27(20)14-18)16-8-4-2-5-9-16/h2-15,21H,1H3,(H,24,29)(H,26,28)
• InChIKey: JPZSUOMUIMXZBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenyl-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)acetamide
• IUPAC Traditional name: N-methyl-2-phenyl-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)acetamide
• Synonyms: N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213678
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5090842
• LogD (pH = 7.4): 2.6950684
• Log P: 2.6980877
• Molar Refractivity: 111.8371 cm^3
• Polarizability: 43.40627 Å^3
• Polar Surface Area: 75.5 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: 3.15
• LOG S: -4.69
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5