uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09321776B2
查看![3-(1-(4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-4-(1-(azetidine-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-isochromen-1-one formate 分子结构式](/api/mol/118131336/svg/360x280.svg)
HCID118131336
3-(1-(4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-4-(1-(azetidine-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-isochromen-1-one formate
3-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]isochromen-1-one;formic acid
C32H30FN7O6627.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(c1oc(=O)c2ccccc2c1C1=CCN(C(=O)C2CNC2)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.O=CO
- InChIKey
- XNYJJRQKYYHXJX-UHFFFAOYSA-N
- 分子式
- C32H30FN7O6
- 平均分子量
- 627.6 g/mol
- 单同位素质量
- 627.22415986
COMPUTED
结构计算性质
- 极性表面积
- 186 Ų
- 氢键供体
- 4
- 氢键受体
- 12
- 可旋转键
- 5
- 重原子
- 46
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
SCHEMBL16783699XNYJJRQKYYHXJX-UHFFFAOYSA-N3-(1-(4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-4-(1-(azetidine-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-isochromen-1-one formate
REACTIONS
参与反应
uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09321776B2
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