2-(4-fluorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 684677
• 分子式: C19H16FN5O3
• 平均质量: 381.3604432
• 单一同位素质量: 381.12371762
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCOc1nonc1C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCCOc1nonc1C
• InChI: InChI=1S/C19H16FN5O3/c1-12-19(24-28-23-12)27-9-8-21-18(26)14-4-7-17-22-16(11-25(17)10-14)13-2-5-15(20)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,21,26)
• InChIKey: YMNCGVRZWKHJKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• Acid pKa: 14.212105
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.7765365
• LogD (pH = 7.4): 1.9652902
• Log P: 1.968366
• 摩尔折射率: 100.7199 cm^3
• 极化性: 37.615955 Å^3
• 极化表面积: 94.55 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 1
• Log P: 2.18
• LOG S: -3.84
• 极化表面积: 94.55 Å^2
• 可自由旋转的化学键: 6