HCID57504520

(2S)-3-[2-(tert-butyl-diphenylsilyl)oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-N-(5-cyanopyridin-2-yl)propanamide

(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)propanamide

C39H38ClN7O4Si732.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1c(Cl)cccc1-n1ncc2c(O[C@@H](COCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)Nc3ccc(C#N)cn3)ncnc21
InChIKey: VDPXKKDFPPMQQW-UMSFTDKQSA-N
分子式: C39H38ClN7O4Si
平均分子量: 732.3 g/mol
单同位素质量: 731.2443069

COMPUTED

结构计算性质

已同步

极性表面积: 137 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 14
重原子: 52
形式电荷: 0
复杂度: 1,170

ALIASES

名称与别名

共 3 条

SCHEMBL839350VDPXKKDFPPMQQW-UMSFTDKQSA-N(2S)-3-[2-(tert-butyl-diphenylsilyl)oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-N-(5-cyanopyridin-2-yl)propanamide

REACTIONS

参与反应

1 条

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143263B2

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