6-{4-[(Dimethylamino)sulfonyl]phenyl}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

HCID 68079233

基本情報

標準SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc3c2c(C)nn3C(C)C)c(=O)[nH]1
InChIKey: YJGGPWSQBLSTLJ-UHFFFAOYSA-N
分子式: C27H32N6O4S
平均分子量: 536.6 g/mol

名称と識別子

優先名称: 6-{4-[(Dimethylamino)sulfonyl]phenyl}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
IUPAC: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

名称と別名

SCHEMBL10256835YJGGPWSQBLSTLJ-UHFFFAOYSA-N6-{4-[(Dimethylamino)sulfonyl]phenyl}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

データベース識別子

PubChem CID: 68079233

物性

構造計算による物性

XLogP: 2.7
極性表面積: 135 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 38
形式電荷: 0
複雑度: 1,090