HCID22179638

5-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo[1,2-b]pyridazine-3-carbonitrile

6-anilino-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C27H21N5O431.5 g/molCAS 779344-39-7

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IDENTITY

结构与身份

标准SMILES: Cc1c(Nc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12
InChIKey: ZZNUJYMCCNXOLH-UHFFFAOYSA-N
分子式: C27H21N5O
平均分子量: 431.5 g/mol
单同位素质量: 431.17461031

COMPUTED

结构计算性质

已同步

XLogP: 6.3
极性表面积: 74.4 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 659

ALIASES

名称与别名

共 11 条

CHEMBL201384SCHEMBL6054305ZZNUJYMCCNXOLH-UHFFFAOYSA-NDTXSID001122180BDBM501765705-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo[1,2-b]pyridazine-3-carbonitrile779344-39-75-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo-[1,2-b]pyridazine-3-carbonitrile5-methyl-4-(4-phenoxyphenylamino)-6-(phenylamino)H-pyrrolo[1,2-b]pyridazine-3-carbonitrile5-Methyl-4-[(4-phenoxyphenyl)amino]-6-(phenylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile6-anilino-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

REACTIONS

参与反应

2 条

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

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uspto-grants-2006_04 · 10.6084/m9.figshare.5104873.v1 · US07030112B2

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