2-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 644469
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)CCc2nc3n(c2)cccc3)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H24N4O2/c1-21-10-4-8-19(18(21)25)9-12-23(14-19)17(24)7-6-15-13-22-11-3-2-5-16(22)20-15/h2-3,5,11,13H,4,6-10,12,14H2,1H3
• InChIKey: SUBCDMUSAZUXTD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-7-methyl-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): -0.43127635
• LogD (pH = 7.4): 0.280729
• Log P: 0.3081009
• 摩尔折射率: 95.6497 cm^3
• 极化性: 36.352135 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: 1.15
• LOG S: -2.66
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3