2-methyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase编号: 861909
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: c12n(c(CC(=O)N3CCC4(CN(C(=O)C4)C)CC3)cn1)cccc2C
• Canonical SMILES: O=C(N1CCC2(CC1)CC(=O)N(C2)C)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C19H24N4O2/c1-14-4-3-7-23-15(12-20-18(14)23)10-16(24)22-8-5-19(6-9-22)11-17(25)21(2)13-19/h3-4,7,12H,5-6,8-11,13H2,1-2H3
• InChIKey: FXYILMGEOFSNDI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC传统名: 2-methyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[4.5]decan-3-one
• 别名: 2-methyl-8-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.88316894
• LogD (pH = 7.4): -0.14019202
• Log P: -0.08889558
• 摩尔折射率: 96.3394 cm^3
• 极化性: 36.274796 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: 1.0
• LOG S: -2.54
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 2