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

ChEBI IDCHEBI:91326
ChEBI Name4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide
Stars
ASCII Name4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-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-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.
Last Modified28 April 2020
DownloadsMolfile
FormulaC16H17Cl2N5O2
Net Charge0
Average Mass382.251
Monoisotopic Mass381.07593
SMILESO=C(NC1CCNCC1)c1nncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=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)
InChIKeyOVPNQJVDAFNBDN-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).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1H-pyrazole-3-carboxamide, 4-((2,6-dichlorobenzoyl)amino)-N-4-piperidinylChemIDplus
4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amideChemIDplus
4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamideChemIDplus
AT 7519ChEBI
AT-7519ChEBI
AT7519ChEBI
Manual XrefsDatabases
DB05037DrugBank
LSM-1004LINCS
Registry NumbersSources
Reaxys:28045917Reaxys
CAS:844442-38-2ChemIDplus
Citations