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

• ChemBase编号: 576858
• 分子式: C20H18FN5O
• 平均质量: 363.3882232
• 单一同位素质量: 363.14953844
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(Cc1cn(nc1)C)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)N(Cc1cnn(c1)C)C
• InChI: InChI=1S/C20H18FN5O/c1-24(10-14-9-22-25(2)11-14)20(27)16-5-8-19-23-18(13-26(19)12-16)15-3-6-17(21)7-4-15/h3-9,11-13H,10H2,1-2H3
• InChIKey: UPFMJVBJFRVLIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]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): 2.1968424
• LogD (pH = 7.4): 2.382638
• Log P: 2.3856525
• 摩尔折射率: 113.3048 cm^3
• 极化性: 38.56105 Å^3
• 极化表面积: 55.43 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: 1.09
• LOG S: -2.78
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4