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

• ChemBase编号: 316712
• 分子式: C19H21FN4O3
• 平均质量: 372.3934432
• 单一同位素质量: 372.15976877
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(cc(cc2)OC)F)c1)C(=O)N(CCC)C
• Canonical SMILES: CCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccc(cc1F)OC)C)C
• InChI: InChI=1S/C19H21FN4O3/c1-5-8-22(2)18(25)15-10-24-11-16(23(3)19(26)17(24)21-15)13-7-6-12(27-4)9-14(13)20/h6-7,9-11H,5,8H2,1-4H3
• InChIKey: IROZJSADHRGNTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxo-N-propyl-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxo-N-propylimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxo-N-propyl-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): 1.7868373
• LogD (pH = 7.4): 1.7868373
• Log P: 1.7868373
• 摩尔折射率: 99.8022 cm^3
• 极化性: 36.74135 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: 1.3
• LOG S: -3.02
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 5