HCID42632481

2,5-dioxopyrrolidin-1-yl 5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylate

(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylate

C22H19F2N3O5443.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)ON3C(=O)CCC3=O)cc21
InChIKey: ZPGGVCFIMNNMNQ-UHFFFAOYSA-N
分子式: C22H19F2N3O5
平均分子量: 443.4 g/mol
单同位素质量: 443.12927704

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 90.7 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 7
重原子: 32
形式电荷: 0
复杂度: 722

ALIASES

名称与别名

共 4 条

SCHEMBL2443688ZPGGVCFIMNNMNQ-UHFFFAOYSA-N2,5-dioxopyrrolidin-1-yl 5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylate5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylic acid 2,5-dioxopyrrolidin-1-yl ester

REACTIONS

参与反应

12 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

HRID144689

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为生成物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID201688

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID909206

uspto-grants-2011_09

作为生成物

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08017641B2

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HRID909207

uspto-grants-2011_09

作为反应物

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08017641B2

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HRID912447

uspto-grants-2011_09

作为生成物

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026233B2

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HRID912448

uspto-grants-2011_09

作为反应物

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026233B2

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HRID1200387

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为生成物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1224496

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物