N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

• ChemBase编号: 334125
• 分子式: C25H28N4O5
• 平均质量: 464.51362
• 单一同位素质量: 464.20597002
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(Cc1n2c(nc1)cccc2)C)c1c(OC)cccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)N(Cc1cnc2n1cccc2)C)c1ccccc1OC
• InChI: InChI=1S/C25H28N4O5/c1-27(17-18-16-26-21-10-6-7-11-28(18)21)22(30)14-25(19-8-4-5-9-20(19)34-3)15-23(31)29(24(25)32)12-13-33-2/h4-11,16H,12-15,17H2,1-3H3
• InChIKey: MUXVWFQXGILXMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
• IUPAC传统名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
• 别名: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 18.50341
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.18491231
• LogD (pH = 7.4): 0.42827633
• Log P: 0.45387655
• 摩尔折射率: 126.1058 cm^3
• 极化性: 48.138412 Å^3
• 极化表面积: 93.45 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.39
• LOG S: -3.46
• 极化表面积: 93.45 Å^2
• 可自由旋转的化学键: 7