N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 594674
• 分子式: C20H27N5O2
• 平均质量: 369.46068
• 单一同位素质量: 369.21647513
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N(Cc1c(n(nc1C)CC)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1)c(C)ccc2)Cc1c(C)nn(c1C)CC
• InChI: InChI=1S/C20H27N5O2/c1-6-25-16(4)17(15(3)22-25)12-23(10-11-27-5)20(26)18-13-24-14(2)8-7-9-19(24)21-18/h7-9,13H,6,10-12H2,1-5H3
• InChIKey: LMYBYTJQDVVECN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(1-ethyl-3,5-dimethyl-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): 1.4291326
• LogD (pH = 7.4): 1.435963
• Log P: 1.4360507
• 摩尔折射率: 118.6352 cm^3
• 极化性: 39.486538 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: 1.64
• LOG S: -3.29
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 7