N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase编号: 377676
• 分子式: C20H24N4O
• 平均质量: 336.43076
• 单一同位素质量: 336.19501141
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C20H24N4O/c1-12-7-8-13(2)20-19(12)15(14(3)22-20)10-18(25)23-17-11-21-16-6-4-5-9-24(16)17/h7-8,11,22H,4-6,9-10H2,1-3H3,(H,23,25)
• InChIKey: DSYNTZUXKCMHHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• 别名: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

理论计算性质

JChem

• 摩尔折射率: 101.0033 cm^3
• 极化性: 38.59675 Å^3
• 极化表面积: 62.71 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 13.704385
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.6801298
• LogD (pH = 7.4): 3.3291929
• Log P: 3.3595955

Provided by Chembridge

• 极化表面积: 62.71 Å^2
• 可自由旋转的化学键: 3
• 质子受体: 2
• 质子供体: 2
• Log P: 3.11
• LOG S: -4.31