HCID57737177

2,2,2-Trifluoro-N-(5-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo-[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-2,3-dihydro-1H-inden-2-yl)acetamide

2,2,2-trifluoro-N-[5-[[4-[2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetamide

C34H26F3N7O2S653.7 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CC(NC(=O)C(F)(F)F)C4)n2)c1
InChIKey: SJPHGLHGDROWCK-UHFFFAOYSA-N
分子式: C34H26F3N7O2S
平均分子量: 653.7 g/mol
单同位素质量: 653.18207876

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 142 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 8
重原子: 47
形式电荷: 0
复杂度: 1,100

ALIASES

名称与别名

共 3 条

2,2,2-Trifluoro-N-(5-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo-[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-2,3-dihydro-1H-inden-2-yl)acetamideSCHEMBL35388672,2,2-Trifluoro-N-(5-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-2,3-dihydro-1H-inden-2-yl)acetamide

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID1157623

uspto-grants-2010_10

作为反应物

uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07807673B2

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HRID1545462

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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