WEJ

4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

Created:2020-10-21
Last modified:  2021-07-07

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count21
2D diagram of WEJ

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Chemical Component Summary

Name4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)4,5-dimethyl-~{N}-(2-phenyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrazole-3-carboxamide
FormulaC19 H17 N5 O
Molecular Weight331.371
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc4c(C)c(C(Nc3cnc2nc(c1ccccc1)cc2c3)=O)nn4
SMILESCACTVS3.385Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(cc3c2)c4ccccc4)c1C
SMILESOpenEye OEToolkits2.0.7Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C
Canonical SMILESCACTVS3.385 Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(cc3c2)c4ccccc4)c1C
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C
InChIInChI1.03 InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyInChI1.03 NVSHVYGIYPBTEZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB18041 
NameBezuclastinib
Groups investigational
Synonyms
  • 3,4-dimethyl-n-(2-phenyl-1h-pyrrolo(2,3-b)pyridin-5-yl)-1h-pyrazole-5-carboxamide
  • Bezuclastinib
  • 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5- carboxamide
CAS number1616385-51-3

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Mast/stem cell growth factor receptor KitMRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRV...unknowninhibitor
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
PubChem 75593308