EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114648 - 6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

ChEBI IDCHEBI:114648
ChEBI Name6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Stars
DownloadsMolfile
FormulaC17H13BrF3N7
Net Charge0
Average Mass452.238
Monoisotopic Mass451.03679
SMILESCc1nn(CCc2nnnn2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H13BrF3N7/c1-9-15-12(17(19,20)21)8-13(10-2-4-11(18)5-3-10)22-16(15)28(25-9)7-6-14-23-26-27-24-14/h2-5,8H,6-7H2,1H3,(H,23,24,26,27)
InChIKeyDIDCTDHQEYBHHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CHEBI:114648) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-26110LINCS