HCID86678166

4-[6-chloro-3-[(E)-2-(3-dimethylaminomethyl-phenyl)-vinyl]-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[6-chloro-3-[(E)-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

C32H41ClN6O4609.2 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CN(C)Cc1cccc(/C=C/c2nn(C3CCCCO3)c3nc(Cl)cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c23)c1
InChIKey: VRTITRQJINOMNG-OUKQBFOZSA-N
分子式: C32H41ClN6O4
平均分子量: 609.2 g/mol
单同位素质量: 608.2877815

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 93 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 8
重原子: 43
形式电荷: 0
复杂度: 983

ALIASES

名称与别名

共 3 条

SCHEMBL14760205VRTITRQJINOMNG-OUKQBFOZSA-N4-[6-chloro-3-[(E)-2-(3-dimethylaminomethyl-phenyl)-vinyl]-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

1 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846712B2

查看