uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846712B2
查看![4-[6-(4-hydroxy-phenyl)-3-phenethyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester 分子结构式](/api/mol/136359501/svg/360x280.svg)
HCID136359501
4-[6-(4-hydroxy-phenyl)-3-phenethyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 4-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)-3-(2-phenylethyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
C35H41N5O5611.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3c2c(CCc2ccccc2)nn3C2CCCCO2)CC1
- InChIKey
- YRTBPDRVBDEHRN-UHFFFAOYSA-N
- 分子式
- C35H41N5O5
- 平均分子量
- 611.7 g/mol
- 单同位素质量
- 611.31076943
COMPUTED
结构计算性质
- XLogP
- 5.3
- 极性表面积
- 110 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 985
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL14759918YRTBPDRVBDEHRN-UHFFFAOYSA-N4-[6-(4-hydroxy-phenyl)-3-phenethyl-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