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

• ChemBase编号: 756647
• 分子式: C20H28N4O
• 平均质量: 340.46252
• 单一同位素质量: 340.22631154
• SMILES: C1(=O)C2(CN(Cc3nc4n(c3)ccc(c4)C)CC2)CCCN1C(C)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CN1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C20H28N4O/c1-15(2)24-8-4-6-20(19(24)25)7-10-22(14-20)12-17-13-23-9-5-16(3)11-18(23)21-17/h5,9,11,13,15H,4,6-8,10,12,14H2,1-3H3
• InChIKey: WOGAIDYCHKUIIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-isopropyl-2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-isopropyl-2-[(7-methylimidazo[1,2-a]pyridin-2-yl)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): -0.81867516
• LogD (pH = 7.4): 0.92034686
• Log P: 2.0211315
• 摩尔折射率: 100.7784 cm^3
• 极化性: 38.423412 Å^3
• 极化表面积: 40.85 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: 2.35
• LOG S: -3.69
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 3