2-(4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 662577
• 分子式: C21H18FN3O2
• 平均质量: 363.3849232
• 单一同位素质量: 363.13830505
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)N(Cc1ccc(o1)C)C
• InChI: InChI=1S/C21H18FN3O2/c1-14-3-9-18(27-14)12-24(2)21(26)16-6-10-20-23-19(13-25(20)11-16)15-4-7-17(22)8-5-15/h3-11,13H,12H2,1-2H3
• InChIKey: FECIAUYZKJKOPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0291166
• LogD (pH = 7.4): 3.2145917
• Log P: 3.2176006
• 摩尔折射率: 101.942 cm^3
• 极化性: 38.621395 Å^3
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.76
• LOG S: -4.21
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 4