SCF

5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Created: 2007-09-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count23
2D diagram of SCF

Chemical Component Summary

Name5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
FormulaC18 H14 F N5
Molecular Weight319.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3
SMILESCACTVS3.341Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F
Canonical SMILESCACTVS3.341 Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F
InChIInChI1.03 InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
InChIKeyInChI1.03 ZAIYYXVHGBMLEC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08534 
Name5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Groups experimental
Synonyms5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

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
PubChem 21066096