GG5

4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE

Created:	2007-03-21
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	0

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Chemical Component Summary
Name	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
Systematic Name (OpenEye OEToolkits)	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
Formula	C₁₄ H₁₀ F N₃
Molecular Weight	239.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc3ccc(c2nncc2c1ccncc1)cc3
SMILES	CACTVS	3.341	Fc1ccc(cc1)c2n[nH]cc2c3ccncc3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F
Canonical SMILES	CACTVS	3.341	Fc1ccc(cc1)c2n[nH]cc2c3ccncc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F
InChI	InChI	1.03	InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKey	InChI	1.03	BILJSHVAAVZERY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07829
Name	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
Groups	experimental
Synonyms	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 14	MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...	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