SCQ

3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-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 SCQ

Chemical Component Summary

Name3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
Systematic Name (OpenEye OEToolkits)3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[5,1-f]pyridin-7-amine
FormulaC18 H14 Br N5
Molecular Weight380.241
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Brc1cnn2c1cc(cc2NCc3cncnc3)c4ccccc4
SMILESCACTVS3.341Brc1cnn2c(NCc3cncnc3)cc(cc12)c4ccccc4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br
Canonical SMILESCACTVS3.341 Brc1cnn2c(NCc3cncnc3)cc(cc12)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br
InChIInChI1.03 InChI=1S/C18H14BrN5/c19-16-11-23-24-17(16)6-15(14-4-2-1-3-5-14)7-18(24)22-10-13-8-20-12-21-9-13/h1-9,11-12,22H,10H2
InChIKeyInChI1.03 IBUPHWYGVDAASU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08536 
Name3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
Groups experimental
Synonyms3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-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 10317619