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

• ChemBase编号: 771532
• 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(CCC2)CCC)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)c1nc2n(c1F)cc(cc2)C
• InChI: InChI=1S/C20H25FN4O2/c1-3-9-23-10-4-7-20(19(23)27)8-11-24(13-20)18(26)16-17(21)25-12-14(2)5-6-15(25)22-16/h5-6,12H,3-4,7-11,13H2,1-2H3
• InChIKey: SGKUGJZJBIODLQ-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-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-[(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-7-propyl-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): 1.8193727
• LogD (pH = 7.4): 1.8195173
• Log P: 1.819519
• 摩尔折射率: 101.5338 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: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.45
• LOG S: -3.15
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3