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

• ChemBase编号: 315031
• 分子式: C17H21N5O2
• 平均质量: 327.38094
• 单一同位素质量: 327.16952494
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(Cc1cn(nc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc2n(c1)cc(n2)C)Cc1cnn(c1)C
• InChI: InChI=1S/C17H21N5O2/c1-13-9-22-12-15(4-5-16(22)19-13)17(23)21(6-7-24-3)11-14-8-18-20(2)10-14/h4-5,8-10,12H,6-7,11H2,1-3H3
• InChIKey: DJIVHSUFKBUCDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-(2-methoxyethyl)-2-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: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.35461727
• LogD (pH = 7.4): 0.2737448
• Log P: 0.29426968
• 摩尔折射率: 103.9592 cm^3
• 极化性: 34.12666 Å^3
• 极化表面积: 64.66 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: 4
• 质子供体: 0
• Log P: -0.17
• LOG S: -2.75
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 6