uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09273067B2
查看![(S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(aminomethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate 分子结构式](/api/mol/131734902/svg/360x280.svg)
HCID131734902
(S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(aminomethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
ethyl (2S)-2-[2-(aminomethyl)-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
C25H39N5O4473.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CCOC1(C)CCN(c2c([C@H](OC(C)(C)C)C(=O)OCC)c(C)nc3cc(CN)nn23)CC1
- InChIKey
- JUVUJKRCYJXCOY-NRFANRHFSA-N
- 分子式
- C25H39N5O4
- 平均分子量
- 473.6 g/mol
- 单同位素质量
- 473.30020474
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 104 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 11
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 691
ALIASES
名称与别名
JUVUJKRCYJXCOY-NRFANRHFSA-N(S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(aminomethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
REACTIONS
