1-[2-(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one

• ChemBase编号: 349991
• 分子式: C20H25FN4O2
• 平均质量: 372.4365032
• 单一同位素质量: 372.19615428
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N1C(CCN2C(=O)CCC2)CCCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N1CCCCC1CCN1CCCC1=O
• InChI: InChI=1S/C20H25FN4O2/c1-14-7-12-25-16(13-14)22-18(19(25)21)20(27)24-10-3-2-5-15(24)8-11-23-9-4-6-17(23)26/h7,12-13,15H,2-6,8-11H2,1H3
• InChIKey: HRTOSCFSTVYASV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one
• IUPAC传统名: 1-[2-(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one
• 别名: 1-(2-{1-[(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.430837
• LogD (pH = 7.4): 1.4309134
• Log P: 1.4309144
• 摩尔折射率: 101.5115 cm^3
• 极化性: 37.61812 Å^3
• 极化表面积: 57.92 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: 3
• 质子供体: 0
• Log P: 0.96
• LOG S: -2.73
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 4