6-(4-methoxyphenyl)-N,7-dimethyl-N-(2-methylpropyl)-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 731492
• 分子式: C20H24N4O3
• 平均质量: 368.42956
• 单一同位素质量: 368.18484065
• SMILES: c1(nc2n(cc(n(c2=O)C)c2ccc(cc2)OC)c1)C(=O)N(CC(C)C)C
• Canonical SMILES: COc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)N(CC(C)C)C
• InChI: InChI=1S/C20H24N4O3/c1-13(2)10-22(3)19(25)16-11-24-12-17(23(4)20(26)18(24)21-16)14-6-8-15(27-5)9-7-14/h6-9,11-13H,10H2,1-5H3
• InChIKey: ZELDBXHUACYBTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(4-methoxyphenyl)-N,7-dimethyl-N-(2-methylpropyl)-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(4-methoxyphenyl)-N,7-dimethyl-N-(2-methylpropyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-isobutyl-6-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0091083
• LogD (pH = 7.4): 2.0091083
• Log P: 2.0091083
• 摩尔折射率: 104.0574 cm^3
• 极化性: 38.857132 Å^3
• 极化表面积: 67.67 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.54
• LOG S: -3.2
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 5