HCID58547741

Tert-butyl 4-(2-chloro-4-((1-(quinolin-2-YL)azetidin-3-YL)oxy)pyrimidin-5-YL)-5,6-dihydropyridine-1(2H)-carboxylate

tert-butyl 4-[2-chloro-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H28ClN5O3494 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CC=C(c2cnc(Cl)nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: NOGQMXQZNXGBPN-UHFFFAOYSA-N
分子式: C26H28ClN5O3
平均分子量: 494 g/mol
单同位素质量: 493.1880675

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 80.7 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 6
重原子: 35
形式电荷: 0
复杂度: 783

ALIASES

名称与别名

共 3 条

SCHEMBL2631238NOGQMXQZNXGBPN-UHFFFAOYSA-NTERT-BUTYL 4-(2-CHLORO-4-((1-(QUINOLIN-2-YL)AZETIDIN-3-YL)OXY)PYRIMIDIN-5-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE

REACTIONS

参与反应

5 条

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497265B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497265B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376450B2

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376450B2

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