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

• ChemBase编号: 368270
• 分子式: C18H21FN4O2
• 平均质量: 344.3833432
• 单一同位素质量: 344.16485415
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C18H21FN4O2/c1-12-4-8-23-13(10-12)20-14(15(23)19)16(24)22-9-6-18(11-22)5-3-7-21(2)17(18)25/h4,8,10H,3,5-7,9,11H2,1-2H3
• InChIKey: AYYYNMCBTZGDMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-[(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-7-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): 0.94011104
• LogD (pH = 7.4): 0.9401877
• Log P: 0.9401887
• 摩尔折射率: 92.2612 cm^3
• 极化性: 33.958706 Å^3
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.39
• LOG S: -2.04
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1