HCID68894970

4-(1-furan-3-ylmethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

C22H27N3O3381.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1
InChIKey: RYYJEKLQXYGNCD-UHFFFAOYSA-N
分子式: C22H27N3O3
平均分子量: 381.5 g/mol
单同位素质量: 381.20524173

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 60.5 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 542

ALIASES

名称与别名

共 4 条

SCHEMBL4054792RYYJEKLQXYGNCD-UHFFFAOYSA-N4-(1-furan-3-ylmethyl-1H-pyrrolo[2,3-b]pyridin-3-yl) piperidine-1-carboxylic acid tert-butyl ester4-(1-furan-3-ylmethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

3 条

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07622480B2

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uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07622480B2

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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