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CHEBI:143124 - 4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

ChEBI IDCHEBI:143124
ChEBI Name4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
Stars
ASCII Name4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
DefinitionA member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-difluorobenzoyl group and in which the carboxylic acid has been converted to a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. It is a CDK1, CDK2 and CDK17 kinase inhibitor.
Last Modified5 March 2019
SubmitterTim Willson
DownloadsMolfile
FormulaC16H17F2N5O2
Net Charge0
Average Mass349.341
Monoisotopic Mass349.13503
SMILESO=C(NC1CCNCC1)c1nncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyCXBHMSHVCKEEGW-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
ChEBI Ontology
Outgoing Relation(s)
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide (CHEBI:143124) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide (CHEBI:143124) is a difluorobenzene (CHEBI:38582)
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide (CHEBI:143124) is a piperidines (CHEBI:26151)
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide (CHEBI:143124) is a pyrazoles (CHEBI:26410)
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide (CHEBI:143124) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
Synonyms  Source
UNC-YL-206ChEBI
4-([(2,6-difluorophenyl)carbonyl]amino)-N-piperidin-4-yl-1H-pyrazole-3-carboxamidePDBeChem
4-[(2,6-difluorophenyl)carbonylamino]-N-piperidin-4-yl-1H-pyrazole-3-carboxamidePDBeChem
Manual XrefsDatabases
LZAPDBeChem
Citations