N-(6-Fluoro-2-Methyl-3-{5-[(5-Methyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-2-Yl)amino]-6-Oxo-1,6-Dihydropyridazin-3-Yl}phenyl)-1-Benzothiophene-2-Carboxamide

HCID 58540422
ノート反応
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1
InChIKey
MZSDTUIZKGUVHK-UHFFFAOYSA-N
分子式
C27H24FN7O2S
平均分子量
529.6 g/mol
単同位体質量
529.16962237

名称と識別子

優先名称
N-(6-Fluoro-2-Methyl-3-{5-[(5-Methyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-2-Yl)amino]-6-Oxo-1,6-Dihydropyridazin-3-Yl}phenyl)-1-Benzothiophene-2-Carboxamide
IUPAC
N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide

名称と別名

CHEMBL3746293N-(6-Fluoro-2-Methyl-3-{5-[(5-Methyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-2-Yl)amino]-6-Oxo-1,6-Dihydropyridazin-3-Yl}phenyl)-1-Benzothiophene-2-Carboxamide1227206-13-4N-(6-Fluoro-2-methyl-3-(5-((5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino)-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)benzo[b]thiophene-2-carboxamidestarbld0047735SCHEMBL2491369MZSDTUIZKGUVHK-UHFFFAOYSA-NBDBM50134320Q274542603YON-{6-fluoro-2-methyl-3-[5-({5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}amino)-6-oxo-1,6-dihydropyridazin-3-yl]phenyl}-1-benzothiophene-2-carboxamide

データベース識別子

PubChem CID
58540422
ChEMBL
CHEMBL3746293

物性

構造計算による物性

XLogP
3.9
極性表面積
132 Ų
水素結合供与体数
3
水素結合受容体数
8
回転可能結合数
5
重原子数
38

関連反応

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