LZ9

{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide

Created: 2008-05-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count17
2D diagram of LZ9
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Chemical Component Summary

Name{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)4-[(2,6-difluorophenyl)carbonylamino]-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
FormulaC17 H11 F3 N4 O2
Molecular Weight360.29
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3c(F)cccc3F
SMILESCACTVS3.341Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3c(F)cccc3F)cc1
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F
Canonical SMILESCACTVS3.341 Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3c(F)cccc3F)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F
InChIInChI1.03 InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
InChIKeyInChI1.03 BDRDBXXWQDFXEC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08138 
Name{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Groups experimental
Synonyms{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Cyclin-dependent kinase 2MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL518383
PubChem 24864079
ChEMBL CHEMBL518383