HCID68007804

(S)-tert-butyl 3-(2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)piperidine-1-carboxylate

tert-butyl (3S)-3-[[2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-yl]amino]piperidine-1-carboxylate

C28H30ClFN6O4S601.1 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c3cc(Cl)cnc32)cc1
InChIKey: OWCNXWBYDSJNEG-IBGZPJMESA-N
分子式: C28H30ClFN6O4S
平均分子量: 601.1 g/mol
单同位素质量: 600.1721805

COMPUTED

结构计算性质

等待补全

XLogP: 5.3
极性表面积: 128 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 7
重原子: 41
形式电荷: 0
复杂度: 1,020

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL10007715OWCNXWBYDSJNEG-IBGZPJMESA-N(S)-tert-butyl 3-(2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)piperidine-1-carboxylatetert-butyl (3S)-3-[[2-[5-chloro-1-(p-tolylsulfonyl)pyrrolo[5,4-b]pyridin-3-yl]-5-fluoro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

REACTIONS