5-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide (HCID 90341047)

基本情報

標準SMILES: CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CCN3CC(F)C3)C4)cc12
InChIKey: LTJXYYUXZWKIDA-UHFFFAOYSA-N
分子式: C38H36F2N6O4S
平均分子量: 710.8 g/mol
単同位体質量: 710.24868115

名称と識別子

優先名称: 5-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide
IUPAC: 5-[11-fluoro-6-[2-(3-fluoroazetidin-1-yl)ethyl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide

名称と別名

CHEMBL3976190SCHEMBL15951101LTJXYYUXZWKIDA-UHFFFAOYSA-NBDBM204743BDBM204748US9243002, 66US9243002, 67US9243002, 685-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide

データベース識別子

PubChem CID: 90341047
ChEMBL: CHEMBL3976190

物性

構造計算による物性

XLogP: 4.8
極性表面積: 122 Å²
水素結合供与体数: 1
水素結合受容体数: 10
回転可能結合数: 8
重原子数: 51
形式電荷: 0
複雑度: 1,370

化合物ノート

読み込み中…