N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 369832
• 分子式: C18H25N5O
• 平均质量: 327.424
• 单一同位素质量: 327.20591045
• SMILES: n12c(ncc1CCNC(=O)C1NCC3(C1)CCNCC3)cccc2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C18H25N5O/c24-17(15-11-18(13-22-15)5-8-19-9-6-18)20-7-4-14-12-21-16-3-1-2-10-23(14)16/h1-3,10,12,15,19,22H,4-9,11,13H2,(H,20,24)
• InChIKey: HGRYFKYETQJMIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.493493
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -7.744229
• LogD (pH = 7.4): -5.773713
• Log P: -0.58664095
• 摩尔折射率: 94.117 cm^3
• 极化性: 36.344635 Å^3
• 极化表面积: 70.46 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: 3
• Log P: -0.06
• LOG S: -2.85
• 极化表面积: 70.46 Å^2
• 可自由旋转的化学键: 4