HCID53630187

3-(3-Tert-butyl-5-{3-[2-fluoro-4-(2-methyl-pyridin-4-yloxy)-phenyl]-ureido}-pyrazol-1-yl)-benzoic acid methyl ester

methyl 3-[3-tert-butyl-5-[[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]carbamoylamino]pyrazol-1-yl]benzoate

C28H28FN5O4517.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)c1
InChIKey: SFNLKSKYVLPXCX-UHFFFAOYSA-N
分子式: C28H28FN5O4
平均分子量: 517.6 g/mol
单同位素质量: 517.21253255

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 107 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 811

ALIASES

名称与别名

共 3 条

SCHEMBL1410447SFNLKSKYVLPXCX-UHFFFAOYSA-N3-(3-tert-butyl-5-{3-[2-fluoro-4-(2-methyl-pyridin-4-yloxy)-phenyl]-ureido}-pyrazol-1-yl)-benzoic acid methyl ester

REACTIONS

相关反应

3 条

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207166B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07838524B2

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