2-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 673488
• 分子式: C19H23FN4O3
• 平均质量: 374.4093232
• 单一同位素质量: 374.17541884
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1nc2n(c1F)cccc2
• InChI: InChI=1S/C19H23FN4O3/c1-27-12-11-22-8-4-6-19(18(22)26)7-10-23(13-19)17(25)15-16(20)24-9-3-2-5-14(24)21-15/h2-3,5,9H,4,6-8,10-13H2,1H3
• InChIKey: IXRQNLMHJVOAPR-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.37971917
• LogD (pH = 7.4): 0.37979087
• Log P: 0.3797918
• 摩尔折射率: 98.2635 cm^3
• 极化性: 36.59711 Å^3
• 极化表面积: 67.15 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: 4
• 质子供体: 0
• Log P: -0.06
• LOG S: -3.19
• 极化表面积: 67.15 Å^2
• 可自由旋转的化学键: 4