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

• ChemBase编号: 648836
• 分子式: C20H20FN3O2
• 平均质量: 353.3901032
• 单一同位素质量: 353.15395512
• SMILES: c1(C(=O)N(C2CCOCC2)C)cn2c(nc(c2)c2ccc(cc2)F)cc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)N(C1CCOCC1)C
• InChI: InChI=1S/C20H20FN3O2/c1-23(17-8-10-26-11-9-17)20(25)15-4-7-19-22-18(13-24(19)12-15)14-2-5-16(21)6-3-14/h2-7,12-13,17H,8-11H2,1H3
• InChIKey: CCGVMDWHHXLSKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.005612
• LogD (pH = 7.4): 2.1914887
• Log P: 2.1945055
• 摩尔折射率: 98.2643 cm^3
• 极化性: 37.730816 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.53
• LOG S: -3.08
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 3