5AV

5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Created:2015-08-31
Last modified:  2016-01-27

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count15
2D diagram of 5AV

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Chemical Component Summary

Name5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)5-chloranyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
FormulaC12 H12 Cl N5 S
Molecular Weight293.775
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(nc2n1ncc2)Cl)NCc3c(nc(C)s3)C
SMILESCACTVS3.385Cc1sc(CNc2cc(Cl)nc3ccnn23)c(C)n1
SMILESOpenEye OEToolkits1.9.2Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl
Canonical SMILESCACTVS3.385 Cc1sc(CNc2cc(Cl)nc3ccnn23)c(C)n1
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl
InChIInChI1.03 InChI=1S/C12H12ClN5S/c1-7-9(19-8(2)16-7)6-14-12-5-10(13)17-11-3-4-15-18(11)12/h3-5,14H,6H2,1-2H3
InChIKeyInChI1.03 FTTQXQQDHKGVJR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3747347
PubChem 127042560
ChEMBL CHEMBL3747347