EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109816 - 7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

ChEBI IDCHEBI:109816
ChEBI Name7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Stars
DownloadsMolfile
FormulaC22H20ClN3O3
Net Charge0
Average Mass409.873
Monoisotopic Mass409.11932
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,21,25H,13H2,1-2H3
InChIKeyCQWHSRNYGGHZSM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CHEBI:109816) is a pyrrolopyridine (CHEBI:46771)
Manual XrefsDatabases
LSM-21244LINCS