uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09353107B2
查看![N-(2-(2-(benzyloxy)ethoxy)-5-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)methane sulfonamide 分子结构式](/api/mol/90034098/svg/360x280.svg)
HCID90034098
N-(2-(2-(benzyloxy)ethoxy)-5-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)methane sulfonamide
N-[5-[3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-(2-phenylmethoxyethoxy)phenyl]methanesulfonamide
C42H40FN5O6S2793.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(S(=O)(=O)n2cc(-c3c(C)nn(Cc4cccc(F)c4)c3C)c3cc(-c4ccc(OCCOCc5ccccc5)c(NS(C)(=O)=O)c4)cnc32)cc1
- InChIKey
- IMGHSNASFOFZRC-UHFFFAOYSA-N
- 分子式
- C42H40FN5O6S2
- 平均分子量
- 793.9 g/mol
- 单同位素质量
- 793.24040452
COMPUTED
结构计算性质
- XLogP
- 7.2
- 极性表面积
- 151 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 14
- 重原子
- 56
- 形式电荷
- 0
- 复杂度
- 1,470
ALIASES
名称与别名
SCHEMBL15560870IMGHSNASFOFZRC-UHFFFAOYSA-NN-(2-(2-(benzyloxy)ethoxy)-5-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)methane sulfonamideN-(2-(2-(benzyloxy)ethoxy)-5-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)methanesulfonamide
REACTIONS
参与反应
uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09353107B2
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