N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 514194
• 分子式: C18H23N5O2
• 平均质量: 341.40752
• 单一同位素质量: 341.185175
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N(Cc1cn(nc1)CC)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)cccc2C)Cc1cnn(c1)CC
• InChI: InChI=1S/C18H23N5O2/c1-4-22-12-15(10-19-22)11-21(8-9-25-3)18(24)16-13-23-14(2)6-5-7-17(23)20-16/h5-7,10,12-13H,4,8-9,11H2,1-3H3
• InChIKey: XJILNMPFVUMJTG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1000643
• LogD (pH = 7.4): 1.1050551
• Log P: 1.1051191
• 摩尔折射率: 108.894 cm^3
• 极化性: 35.967976 Å^3
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.72
• LOG S: -2.3
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 7