N-[2-(diethylamino)ethyl]-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 420753
• 分子式: C17H25FN4O
• 平均质量: 320.4050032
• 单一同位素质量: 320.20123966
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N(CCN(CC)CC)CC
• Canonical SMILES: CCN(C(=O)c1nc2n(c1F)ccc(c2)C)CCN(CC)CC
• InChI: InChI=1S/C17H25FN4O/c1-5-20(6-2)10-11-21(7-3)17(23)15-16(18)22-9-8-13(4)12-14(22)19-15/h8-9,12H,5-7,10-11H2,1-4H3
• InChIKey: AGXALMHJIZCNOH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(diethylamino)ethyl]-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[2-(diethylamino)ethyl]-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[2-(diethylamino)ethyl]-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.1299053
• LogD (pH = 7.4): 0.4576766
• Log P: 2.077348
• 摩尔折射率: 91.9132 cm^3
• 极化性: 33.820477 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.07
• LOG S: -3.3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 7