5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-pyrimidin-4-ol | 1354041-91-0
中文名称
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中文别名
——
英文名称
5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-pyrimidin-4-ol
英文别名
IWP-051；5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4(3H)-one；5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CAS
1354041-91-0
化学式
C17H11F2N5O2
mdl
——
分子量
355.303
InChiKey
LIVYVCAUBHXIMI-UHFFFAOYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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密度：1.53±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：1.7
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重原子数：26
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可旋转键数：4
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环数：4.0
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sp3杂化的碳原子比例：0.06
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拓扑面积：85.3
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氢给体数：1
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氢受体数：7
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidine-4,6-diol —— C17H11F2N5O3 371.303 —— 3-(3-(4-chloro-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446358-48-0 C17H10ClF2N5O 373.749 —— 3-(3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446359-43-8 C17H9Cl2F2N5O 408.194 —— 3-(3-(5-fluoro-4-methoxypyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446358-49-1 C18H13F2N5O2 369.33 —— 3-(3-(4-chloro-5-fluoro-6-methoxypyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446359-44-9 C18H12ClF2N5O2 403.775 —— 1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazole-3-carboximidamide 1354044-23-7 C14H12FN5O 285.281 —— 1-(2,3-difluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazole-3-carboximidamide 1446359-78-9 C14H11F2N5O 303.271 —— ethyl 1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazole-3-carboxylate 1354044-05-5 C16H14FN3O3 315.304 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-amine 1354041-37-4 C17H12F2N6O 354.319 —— 3-(3-(4-chloro-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446358-48-0 C17H10ClF2N5O 373.749 —— 5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-N-methylpyrimidin-4-amine —— C18H14F2N6O 368.346 —— [5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]hydrazine 1446358-50-4 C17H13F2N7O 369.333 —— 3-(3-(5-fluoro-4-methoxypyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole 1446358-49-1 C18H13F2N5O2 369.33 —— 5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4-carbonitrile 1446359-52-9 C18H10F2N6O 364.314 —— 2-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetonitrile 1446359-60-9 C19H12F2N6O 378.341 —— N-tert-butyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine —— C21H20F2N6O 410.426 —— 2-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]acetonitrile —— C19H13F2N7O 393.355 —— 2-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]ethanol —— C19H16F2N6O2 398.372 —— 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine —— C19H13F5N6O 436.344 —— 3-((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-yl)amino)propan-1-ol —— C20H18F2N6O2 412.399 —— 3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propanamide —— C20H17F2N7O2 425.397 —— 4-((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-yl)amino)butanoic acid —— C21H18F2N6O3 440.409 —— 3-((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-yl)amino)propanoic acid —— C20H16F2N6O3 426.382 —— N,N-diethyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine —— C21H20F2N6O 410.426 —— 2-((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-yl)amino)ethanesulfonic acid —— C19H16F2N6O4S 462.437 —— 2-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]ethanesulfonamide —— C19H17F2N7O3S 461.452 —— 2-((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4-yl)amino)ethanesulfonyl chloride —— C19H15ClF2N6O3S 480.882 —— 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2-methylsulfonylethyl)pyrimidin-4-amine —— C20H18F2N6O3S 460.464 —— 3,3,3-trifluoro-1-N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propane-1,2-diamine —— C20H16F5N7O 465.385 —— 5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-N-(2-morpholinoethyl)pyrimidin-4-amine —— C23H23F2N7O2 467.478 —— 2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-N-hydroxyethanesulfonamide —— C19H17F2N7O4S 477.451 —— [3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]oxetan-3-yl]methanol —— C21H18F2N6O3 440.409 —— 2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-N-methylethanesulfonamide —— C20H19F2N7O3S 475.479 —— 3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide —— C20H17F2N7O3 441.397 —— 2,2-Difluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-1-ol —— C20H16F4N6O2 448.38 —— 1,1,1-trifluoro-N-[2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]ethyl]methanesulfonamide —— C20H16F5N7O3S 529.45 —— 3-(3-(5-fluoro-4-(pyrrolidin-1-yl)pyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole —— C21H18F2N6O 408.41