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

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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 into 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

Average Mass

382.245

Monoisotopic Mass

381.07593

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.

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

Last Modified

28 April 2020

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.