HCID45254197

N-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-(2-methoxyethylamino)acetamide

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-(2-methoxyethylamino)acetamide

C36H41N7O4635.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCNCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
InChIKey: RKEMWDQHGMKDCM-UHFFFAOYSA-N
分子式: C36H41N7O4
平均分子量: 635.8 g/mol
单同位素质量: 635.32200281

COMPUTED

结构计算性质

已同步

XLogP: 5.5
极性表面积: 131 Å²
氢键供体: 4
氢键受体: 7
可旋转键: 13
重原子: 47
形式电荷: 0
复杂度: 987

ALIASES

名称与别名

共 3 条

SCHEMBL2407900RKEMWDQHGMKDCM-UHFFFAOYSA-NN-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-(2-methoxyethylamino)acetamide

REACTIONS

参与反应

4 条

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975285B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618140B2

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08293748B2

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