HCID57749270

N-[6-(3-amino-4-fluorophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[6-(3-amino-4-fluorophenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C16H14FN5O2327.31 g/mol

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IDENTITY

结构与身份

标准SMILES: Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F
InChIKey: SCOMXIVATCHBAT-UHFFFAOYSA-N
分子式: C16H14FN5O2
平均分子量: 327.31 g/mol
单同位素质量: 327.11315287

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 94.5 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 477

ALIASES

名称与别名

共 3 条

SCHEMBL4288591SCOMXIVATCHBAT-UHFFFAOYSA-NN-[6-(3-amino-4-fluorophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

REACTIONS

参与反应

20 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

HRID120747

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID194128

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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HRID692737

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

作为反应物

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

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HRID819509

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID961076

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

作为反应物

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

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HRID1237083

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

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HRID1559021

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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HRID1561504

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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