N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 679120
• Molecular Formular: C20H17N5O2
• Molecular Mass: 359.38128
• Monoisotopic Mass: 359.13822481
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCc1nc(nc(c1)O)C
• Canonical SMILES: Oc1cc(CNC(=O)c2ccc3n(c2)cc(n3)c2ccccc2)nc(n1)C
• InChI: InChI=1S/C20H17N5O2/c1-13-22-16(9-19(26)23-13)10-21-20(27)15-7-8-18-24-17(12-25(18)11-15)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,21,27)(H,22,23,26)
• InChIKey: IAUJCGIEWKFXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.955605
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.619713
• LogD (pH = 7.4): 2.809127
• Log P: 2.8122146
• Molar Refractivity: 102.3492 cm^3
• Polarizability: 39.081978 Å^3
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.89
• LOG S: -2.58
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 4