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

• ChemBase编号: 606521
• 分子式: C19H22N4O3
• 平均质量: 354.40298
• 单一同位素质量: 354.16919058
• SMILES: c1(nc2n(cc(n(c2=O)C)c2ccc(cc2)OC)c1)C(=O)N(C(C)C)C
• Canonical SMILES: COc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)N(C(C)C)C
• InChI: InChI=1S/C19H22N4O3/c1-12(2)21(3)18(24)15-10-23-11-16(22(4)19(25)17(23)20-15)13-6-8-14(26-5)9-7-13/h6-12H,1-5H3
• InChIKey: ZJPVNJWYCTYTJC-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

Provided by Chembridge

• 质子供体: 0
• Log P: 1.01
• LOG S: -2.65
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 4

JChem

• LogD (pH = 5.5): 1.5381881
• LogD (pH = 7.4): 1.5381881
• Log P: 1.5381881
• 摩尔折射率: 99.4806 cm^3
• 极化性: 37.02044 Å^3
• 极化表面积: 67.67 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0