7-methyl-2-propyl-3-[2'-(aminosulfonyl)[1,1']-biphenyl-4-yl]methyl-6-[(1-oxobutyl)amino]-3H-imidazo[4,5-b]pyridine

HCID 19939752

基本情報

標準SMILES
CCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1C
InChIKey
STYFXXFKKKMXPE-UHFFFAOYSA-N
分子式
C27H31N5O3S
平均分子量
505.6 g/mol
単同位体質量
505.21476104

名称と識別子

優先名称
7-methyl-2-propyl-3-[2'-(aminosulfonyl)[1,1']-biphenyl-4-yl]methyl-6-[(1-oxobutyl)amino]-3H-imidazo[4,5-b]pyridine
IUPAC
N-[7-methyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]butanamide

名称と別名

SCHEMBL9128941STYFXXFKKKMXPE-UHFFFAOYSA-N7-methyl-2-propyl-3-[[2'-(aminosulfonyl)[1,1']-biphenyl-4-yl]methyl]-6-[(1-oxobutyl)amino]-3H-imidazo[4,5-b]pyridine7-methyl-2-propyl-3-[2'-(aminosulfonyl)[1,1']-biphenyl-4-yl]methyl-6-[(1-oxobutyl)amino]-3H-imidazo[4,5-b]pyridine7-methyl-2-propyl-3-[2'-(aminosulfonyl)[1,1']biphenyl-4-yl]methyl-6-[(1-oxobutyl)amino]-3H-imidazo[4, 5-b]pyridine7-methyl-2-propyl-3-[2'-(aminosulfonyl)[1,1']biphenyl-4-yl]methyl-6-[(1-oxobutyl)amino]-3H-imidazo[4,5-b]pyridine

データベース識別子

PubChem CID
19939752

物性

構造計算による物性

XLogP
4
極性表面積
128 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
9
重原子数
36

関連反応

6 件

関連ノート

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