2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 722680
• 分子式: C20H25FN4O2
• 平均质量: 372.4365032
• 单一同位素质量: 372.19615428
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1CC2(C(=O)N(C(C)C)CCC2)CC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C20H25FN4O2/c1-13(2)24-9-4-7-20(19(24)27)8-10-23(12-20)18(26)16-17(21)25-11-14(3)5-6-15(25)22-16/h5-6,11,13H,4,7-10,12H2,1-3H3
• InChIKey: WPIUSXBDMIHYGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-[(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7134254
• LogD (pH = 7.4): 1.7135699
• Log P: 1.7135717
• 摩尔折射率: 101.4286 cm^3
• 极化性: 37.61648 Å^3
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.27
• LOG S: -3.0
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 2