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

• ChemBase编号: 423209
• 分子式: C19H25N5O3
• 平均质量: 371.4335
• 单一同位素质量: 371.19573969
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)C)c1)C(=O)N(CCN(C)C)C
• Canonical SMILES: CN(CCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cc(oc1C)C)C)C)C
• InChI: InChI=1S/C19H25N5O3/c1-12-9-14(13(2)27-12)16-11-24-10-15(20-17(24)19(26)23(16)6)18(25)22(5)8-7-21(3)4/h9-11H,7-8H2,1-6H3
• InChIKey: WDBBHPZQVWNQMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-6-(2,5-dimethylfuran-3-yl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-6-(2,5-dimethylfuran-3-yl)-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-[2-(dimethylamino)ethyl]-6-(2,5-dimethyl-3-furyl)-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): -2.3741736
• LogD (pH = 7.4): -0.6188572
• Log P: 0.48048905
• 摩尔折射率: 104.6819 cm^3
• 极化性: 38.289886 Å^3
• 极化表面积: 74.82 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: 5
• 质子供体: 0
• Log P: 0.42
• LOG S: -2.27
• 极化表面积: 75.99 Å^2
• 可自由旋转的化学键: 5