4-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-carboxamide

• ChemBase编号: 767534
• 分子式: C17H23N5O2
• 平均质量: 329.39682
• 单一同位素质量: 329.185175
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N1CCN(C(=O)N(C)C)CC1
• Canonical SMILES: Cc1ccc2n(c1)c(c(n2)C)C(=O)N1CCN(CC1)C(=O)N(C)C
• InChI: InChI=1S/C17H23N5O2/c1-12-5-6-14-18-13(2)15(22(14)11-12)16(23)20-7-9-21(10-8-20)17(24)19(3)4/h5-6,11H,7-10H2,1-4H3
• InChIKey: IVODKDOLYVGMKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-carboxamide
• IUPAC传统名: 4-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-carboxamide
• 别名: 4-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]-N,N-dimethylpiperazine-1-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.3103247
• LogD (pH = 7.4): -0.19160594
• Log P: -0.18984495
• 摩尔折射率: 93.1098 cm^3
• 极化性: 34.19298 Å^3
• 极化表面积: 61.16 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.94
• LOG S: -2.4
• 极化表面积: 61.16 Å^2
• 可自由旋转的化学键: 1