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CHEBI:188046 - BAY-41-8543

ChEBI IDCHEBI:188046
ChEBI NameBAY-41-8543
Stars
Last Modified17 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21FN8O
Net Charge0
Average Mass420.452
Monoisotopic Mass420.18224
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N1CCOCC1
InChIInChI=1S/C21H21FN8O/c22-15-6-2-1-4-13(15)12-30-21-14(5-3-7-25-21)16(28-30)20-26-18(23)17(19(24)27-20)29-8-10-31-11-9-29/h1-7H,8-12H2,(H4,23,24,26,27)
InChIKeyAQYFUZRYBJBAGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
BAY-41-8543 (CHEBI:188046) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-diamine
Manual XrefsDatabases
8129516ChemSpider
Registry NumbersSources
CAS:256498-66-5ChemIDplus