I46

2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

Created:2009-05-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count19
2D diagram of I46

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Systematic Name (OpenEye OEToolkits)2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
FormulaC14 H9 F2 N3
Molecular Weight257.238
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3nccc(c2nncc2c1ccc(F)cc1)c3
SMILESCACTVS3.341Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F
Canonical SMILESCACTVS3.341 Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F
InChIInChI1.03 InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKeyInChI1.03 YJCHZVXSPFPKMX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07942 
Name2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Groups experimental
Synonyms2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Mitogen-activated protein kinase 14MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...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
PubChem 42647299