N-ethyl-3-fluoro-5-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 482348
• 分子式: C17H23FN4O2
• 平均质量: 334.3885232
• 单一同位素质量: 334.18050422
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N(CCN1CCOCC1)CC
• Canonical SMILES: CCN(C(=O)c1nc2n(c1F)c(C)ccc2)CCN1CCOCC1
• InChI: InChI=1S/C17H23FN4O2/c1-3-21(8-7-20-9-11-24-12-10-20)17(23)15-16(18)22-13(2)5-4-6-14(22)19-15/h4-6H,3,7-12H2,1-2H3
• InChIKey: CEEVVERKCNUMGE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-fluoro-5-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-ethyl-3-fluoro-5-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-ethyl-3-fluoro-5-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.21647573
• LogD (pH = 7.4): 0.8146255
• Log P: 0.8313716
• 摩尔折射率: 91.599 cm^3
• 极化性: 33.82491 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.61
• LOG S: -2.16
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 5