7-(cyclobutylmethyl)-2-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 617110
• 分子式: C22H30N4O
• 平均质量: 366.4998
• 单一同位素质量: 366.2419616
• SMILES: c1(nc(n2c1cccc2)C)CN1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1nc(n2c1cccc2)C)CC1CCC1
• InChI: InChI=1S/C22H30N4O/c1-17-23-19(20-8-2-3-12-26(17)20)15-24-13-10-22(16-24)9-5-11-25(21(22)27)14-18-6-4-7-18/h2-3,8,12,18H,4-7,9-11,13-16H2,1H3
• InChIKey: IKYKBGUDAVTABI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclobutylmethyl)-2-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclobutylmethyl)-2-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclobutylmethyl)-2-[(3-methylimidazo[1,5-a]pyridin-1-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): -1.104115
• LogD (pH = 7.4): 0.37852627
• Log P: 1.7343941
• 摩尔折射率: 107.9538 cm^3
• 极化性: 42.054947 Å^3
• 极化表面积: 40.85 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: 3
• 质子供体: 0
• Log P: 2.47
• LOG S: -3.98
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 4