N-(2-methoxyethyl)-2,7-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 684697
• 分子式: C18H23N5O2
• 平均质量: 341.40752
• 单一同位素质量: 341.185175
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N(Cc1cn(nc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(C)nc2n1ccc(c2)C)Cc1cnn(c1)C
• InChI: InChI=1S/C18H23N5O2/c1-13-5-6-23-16(9-13)20-14(2)17(23)18(24)22(7-8-25-4)12-15-10-19-21(3)11-15/h5-6,9-11H,7-8,12H2,1-4H3
• InChIKey: AGWPMILPGRMPFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2,7-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-2,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-(2-methoxyethyl)-2,7-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.6574218
• LogD (pH = 7.4): 0.72672826
• Log P: 0.7276922
• 摩尔折射率: 108.8779 cm^3
• 极化性: 35.892826 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: 0.93
• LOG S: -2.48
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 6