uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006235B2
查看![(2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate 分子结构式](/api/mol/86695370/svg/360x280.svg)
HCID86695370
(2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
ethyl (2S)-2-[2-amino-7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
C25H31FN4O4470.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc(N)nn2c1-c1cc(F)c2c(c1C)CCCO2
- InChIKey
- AQLUBBXBZGWAHB-QHCPKHFHSA-N
- 分子式
- C25H31FN4O4
- 平均分子量
- 470.5 g/mol
- 单同位素质量
- 470.23293364
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 101 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 722
ALIASES
名称与别名
SCHEMBL15249777AQLUBBXBZGWAHB-QHCPKHFHSA-N(2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
REACTIONS
参与反应
uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006235B2
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