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

• ChemBase编号: 857842
• 分子式: C19H22N4O3
• 平均质量: 354.40298
• 单一同位素质量: 354.16919058
• SMILES: c1(n(c(=O)c2n(c1)cc(n2)C(=O)N(C)C)CC1CC1)c1c(oc(c1)C)C
• Canonical SMILES: Cc1oc(c(c1)c1cn2cc(nc2c(=O)n1CC1CC1)C(=O)N(C)C)C
• InChI: InChI=1S/C19H22N4O3/c1-11-7-14(12(2)26-11)16-10-22-9-15(18(24)21(3)4)20-17(22)19(25)23(16)8-13-5-6-13/h7,9-10,13H,5-6,8H2,1-4H3
• InChIKey: XBTQZDRVHZHDFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 7-(cyclopropylmethyl)-6-(2,5-dimethyl-3-furyl)-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: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.2424217
• LogD (pH = 7.4): 1.2424217
• Log P: 1.2424217
• 摩尔折射率: 98.6048 cm^3
• 极化性: 36.043205 Å^3
• 极化表面积: 71.58 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: 1.17
• LOG S: -2.78
• 极化表面积: 72.75 Å^2
• 可自由旋转的化学键: 4