6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 385702
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCC1CN(c2ccccc2)CCO1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCC1OCCN(C1)c1ccccc1
• InChI: InChI=1S/C20H22N4O2/c1-15-7-8-19-22-18(14-24(19)12-15)20(25)21-11-17-13-23(9-10-26-17)16-5-3-2-4-6-16/h2-8,12,14,17H,9-11,13H2,1H3,(H,21,25)
• InChIKey: ZWFAJXJKRQRYDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-[(4-phenyl-2-morpholinyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.641377
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4750566
• LogD (pH = 7.4): 2.484053
• Log P: 2.4841688
• Molar Refractivity: 101.843 cm^3
• Polarizability: 37.79773 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.09
• LOG S: -3.54
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 4