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

• ChemBase编号: 673301
• 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(C(C)C)C
• Canonical SMILES: COc1ccc(c(c1)F)c1cn2cc(nc2c(=O)n1C)C(=O)N(C(C)C)C
• InChI: InChI=1S/C19H21FN4O3/c1-11(2)22(3)18(25)15-9-24-10-16(23(4)19(26)17(24)21-15)13-7-6-12(27-5)8-14(13)20/h6-11H,1-5H3
• InChIKey: YTTCROZKJRDIAD-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-(propan-2-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(2-fluoro-4-methoxyphenyl)-N-isopropyl-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(2-fluoro-4-methoxyphenyl)-N-isopropyl-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): 1.68089
• LogD (pH = 7.4): 1.68089
• Log P: 1.68089
• 摩尔折射率: 99.697 cm^3
• 极化性: 36.741333 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

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.12
• LOG S: -2.87
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 4