HCID46202741

1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(2-(pyrimidin-5-yl)pyridin-4-yl)-1H-isoindol-3-amine

3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(2-pyrimidin-5-yl-4-pyridinyl)isoindol-1-amine

C23H15F3N6432.4 g/molCAS 1227163-85-0

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IDENTITY

结构与身份

标准SMILES: NC1=NC(c2ccnc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
InChIKey: GKEMYVAIQCCEOA-UHFFFAOYSA-N
分子式: C23H15F3N6
平均分子量: 432.4 g/mol
单同位素质量: 432.13102899

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 89.9 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 4
重原子: 32
形式电荷: 0
复杂度: 687

ALIASES

名称与别名

共 6 条

1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(2-(pyrimidin-5-yl)pyridin-4-yl)-1H-isoindol-3-amine1-[2-(Difluoromethyl)pyridin-4-yl]-4-fluoro-1-[2-(pyrimidin-5-yl)pyridin-4-yl]-1H-isoindol-3-amineSCHEMBL2465520DTXSID4011156781227163-85-01-[2-(Difluoromethyl)-4-pyridinyl]-4-fluoro-1-[2-(5-pyrimidinyl)-4-pyridinyl]-1H-isoindol-3-amine

REACTIONS

参与反应

2 条

uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08030500B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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