HCID67000404

5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

5-[2-[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide

C23H20ClN5O3S482 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(CO)NS(=O)(=O)c1cncc(C#Cc2cnn3ccc(-c4ccc(Cl)cc4)nc23)c1
InChIKey: AJEYHBNVLRPWEI-UHFFFAOYSA-N
分子式: C23H20ClN5O3S
平均分子量: 482 g/mol
单同位素质量: 481.0975384

COMPUTED

结构计算性质

等待补全

XLogP: 2.5
极性表面积: 118 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 843

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL1347269AJEYHBNVLRPWEI-UHFFFAOYSA-N5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

REACTIONS

参与反应

5 条

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446113B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063048B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07238808B2

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07718661B2

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