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

• ChemBase编号: 384522
• 分子式: C20H21FN4O3
• 平均质量: 384.4041432
• 单一同位素质量: 384.15976877
• SMILES: n1(c(cn2c(nc(c2)C(=O)N(C)C)c1=O)c1c(cc(cc1)OC)F)CC1CC1
• Canonical SMILES: COc1ccc(c(c1)F)c1cn2cc(nc2c(=O)n1CC1CC1)C(=O)N(C)C
• InChI: InChI=1S/C20H21FN4O3/c1-23(2)19(26)16-10-24-11-17(14-7-6-13(28-3)8-15(14)21)25(9-12-4-5-12)20(27)18(24)22-16/h6-8,10-12H,4-5,9H2,1-3H3
• InChIKey: WDEWKIZGVQNUOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-6-(2-fluoro-4-methoxyphenyl)-N,N-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 7-(cyclopropylmethyl)-6-(2-fluoro-4-methoxyphenyl)-N,N-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 7-(cyclopropylmethyl)-6-(2-fluoro-4-methoxyphenyl)-N,N-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): 1.6880842
• LogD (pH = 7.4): 1.6880842
• Log P: 1.6880842
• 摩尔折射率: 102.4716 cm^3
• 极化性: 37.857594 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: 1.14
• LOG S: -2.98
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 5