7-(cyclopropylmethyl)-2-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 581502
• 分子式: C21H25FN4O2
• 平均质量: 384.4472032
• 单一同位素质量: 384.19615428
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C21H25FN4O2/c1-14-5-9-26-16(11-14)23-17(18(26)22)19(27)25-10-7-21(13-25)6-2-8-24(20(21)28)12-15-3-4-15/h5,9,11,15H,2-4,6-8,10,12-13H2,1H3
• InChIKey: BWKLDAHVKJSSQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-2-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclopropylmethyl)-2-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclopropylmethyl)-2-[(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-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): 1.7206873
• LogD (pH = 7.4): 1.720765
• Log P: 1.720766
• 摩尔折射率: 104.2032 cm^3
• 极化性: 38.734303 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: 1.28
• LOG S: -3.1
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3