uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看![N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl]phenyl)amino}-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide 分子结构式](/api/mol/59452582/svg/360x280.svg)
HCID59452582
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl]phenyl)amino}-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
C41H42F2N8O5S796.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCN(CCS(C)(=O)=O)CC1
- InChIKey
- URDBIZWCEOETOC-UHFFFAOYSA-N
- 分子式
- C41H42F2N8O5S
- 平均分子量
- 796.9 g/mol
- 单同位素质量
- 796.29669397
COMPUTED
结构计算性质
- XLogP
- 6.4
- 极性表面积
- 152 Ų
- 氢键供体
- 2
- 氢键受体
- 13
- 可旋转键
- 13
- 重原子
- 57
- 形式电荷
- 0
- 复杂度
- 1,400
ALIASES
名称与别名
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl]phenyl)amino}-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamideN-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamideSCHEMBL310370CHEMBL3910511URDBIZWCEOETOC-UHFFFAOYSA-N
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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