2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 464126
• 分子式: C18H18FN3O2
• 平均质量: 327.3528232
• 单一同位素质量: 327.13830505
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F)C
• InChI: InChI=1S/C18H18FN3O2/c1-21(9-10-24-2)18(23)14-5-8-17-20-16(12-22(17)11-14)13-3-6-15(19)7-4-13/h3-8,11-12H,9-10H2,1-2H3
• InChIKey: XZDWZJBAYYHSMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 极化性: 34.777016 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9972278
• LogD (pH = 7.4): 2.1833227
• Log P: 2.186344
• 摩尔折射率: 90.8323 cm^3

Provided by Chembridge

• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 3
• 质子供体: 0
• Log P: 1.38
• LOG S: -2.77