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CHEBI:39634 - N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide

ChEBI IDCHEBI:39634
ChEBI NameN-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
Stars
ASCII NameN-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H24N6O
Net Charge0
Average Mass412.497
Monoisotopic Mass412.20116
SMILESCN1CCN(c2ccc(-c3cnc4ncc(NC(=O)c5cccnc5)c4c3)cc2)CC1
InChIInChI=1S/C24H24N6O/c1-29-9-11-30(12-10-29)20-6-4-17(5-7-20)19-13-21-22(16-27-23(21)26-15-19)28-24(31)18-3-2-8-25-14-18/h2-8,13-16H,9-12H2,1H3,(H,26,27)(H,28,31)
InChIKeyYJWJKKXGAPWLGT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide (CHEBI:39634) has functional parent nicotinamide (CHEBI:17154)
N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide (CHEBI:39634) is a N-arylpiperazine (CHEBI:46848)
N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide (CHEBI:39634) is a N-methylpiperazine (CHEBI:46920)
N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide (CHEBI:39634) is a pyrrolopyridine (CHEBI:46771)
IUPAC Name 
N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxamide
Synonym  Source
N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDEPDBeChem
Manual XrefsDatabases
199PDBeChem
DB06876DrugBank