HCID118318796

(S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(iodomethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate

ethyl (2S)-2-[2-(iodomethyl)-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

C25H37IN4O4584.5 g/mol

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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(CI)nn23)CC1
InChIKey: SIESBYVIYYQPLF-NRFANRHFSA-N
分子式: C25H37IN4O4
平均分子量: 584.5 g/mol
单同位素质量: 584.18595

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 78.2 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 11
重原子: 34
形式电荷: 0
复杂度: 695

ALIASES

名称与别名

共 3 条

SCHEMBL17019296SIESBYVIYYQPLF-NRFANRHFSA-N(S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(iodomethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate

REACTIONS