7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 611794
• 分子式: C20H24N4O3
• 平均质量: 368.42956
• 单一同位素质量: 368.18484065
• SMILES: c1(n(c(=O)c2n(c1)cc(n2)C(=O)N(CC)C)CC1CC1)c1c(oc(c1)C)C
• Canonical SMILES: CCN(C(=O)c1nc2n(c1)cc(n(c2=O)CC1CC1)c1cc(oc1C)C)C
• InChI: InChI=1S/C20H24N4O3/c1-5-22(4)19(25)16-10-23-11-17(15-8-12(2)27-13(15)3)24(9-14-6-7-14)20(26)18(23)21-16/h8,10-11,14H,5-7,9H2,1-4H3
• InChIKey: QBUAPYSQBVDBSV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 7-(cyclopropylmethyl)-6-(2,5-dimethyl-3-furyl)-N-ethyl-N-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5992297
• LogD (pH = 7.4): 1.5992297
• Log P: 1.5992297
• 摩尔折射率: 103.3534 cm^3
• 极化性: 37.876278 Å^3
• 极化表面积: 71.58 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: 1.7
• LOG S: -3.34
• 极化表面积: 72.75 Å^2
• 可自由旋转的化学键: 5