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

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ChEBI Name 4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
ChEBI ID CHEBI:143124
ChEBI ASCII Name 4-(2,6-difluorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tim Willson
Supplier Information
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Formula C16H17F2N5O2
Net Charge 0
Average Mass 349.342
Monoisotopic Mass 349.13503
InChI InChI=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)
InChIKey CXBHMSHVCKEEGW-UHFFFAOYSA-N
SMILES C1=C(C(=NN1)C(NC2CCNCC2)=O)NC(C=3C(=CC=CC3F)F)=O
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
4-([(2,6-difluorophenyl)carbonyl]amino)-N-piperidin-4-yl-1H-pyrazole-3-carboxamide PDBeChem
4-[(2,6-difluorophenyl)carbonylamino]-N-piperidin-4-yl-1H-pyrazole-3-carboxamide PDBeChem
UNC-YL-206 ChEBI
Manual Xref Database
LZA PDBeChem
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Citation Waiting for Citations Type Source
18656911 PubMed citation Europe PMC
Last Modified
05 March 2019