CHEBI:91326 - 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide

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ChEBI Name 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide
ChEBI ID CHEBI:91326
ChEBI ASCII Name 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-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-dichlorobenzoyl group and in which the carboxylic acid has been converted to a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H17Cl2N5O2
Net Charge 0
Average Mass 382.245
Monoisotopic Mass 381.076
InChI InChI=1S/C16H17Cl2N5O2/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 OVPNQJVDAFNBDN-UHFFFAOYSA-N
SMILES C1=C(C(=NN1)C(NC2CCNCC2)=O)NC(C=3C(=CC=CC3Cl)Cl)=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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) has role antineoplastic agent (CHEBI:35610)
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) is a dichlorobenzene (CHEBI:23697)
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) is a piperidines (CHEBI:26151)
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) is a pyrazoles (CHEBI:26410)
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide (CHEBI:91326) is a secondary carboxamide (CHEBI:140325)
IUPAC Names
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide
Synonyms Sources
1H-pyrazole-3-carboxamide, 4-((2,6-dichlorobenzoyl)amino)-N-4-piperidinyl ChemIDplus
4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide ChemIDplus
4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide ChemIDplus
AT 7519 ChEBI
AT-7519 ChEBI
AT7519 ChEBI
Manual Xrefs Databases
DB05037 DrugBank
LSM-1004 LINCS
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Registry Numbers Types Sources
28045917 Reaxys Registry Number Reaxys
844442-38-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19174555 PubMed citation Europe PMC
20101221 PubMed citation Europe PMC
21325451 PubMed citation Europe PMC
24811300 PubMed citation Europe PMC
26202950 PubMed citation Europe PMC
29901072 PubMed citation Europe PMC
Last Modified
28 August 2018
General Comment
2018-08-28 The 2 IUPAC names correspond to two different tautomers of the pyrazole ring. Both tautomers are likely to be present.