Q9G

5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE

Created:2010-11-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count17
2D diagram of Q9G

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Chemical Component Summary

Name5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE
Systematic Name (OpenEye OEToolkits)5-(5-fluoro-2-methyl-phenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[5,4-c]isoquinolin-1-amine
FormulaC17 H17 F N4
Molecular Weight296.342
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24
SMILESOpenEye OEToolkits1.6.1Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F
Canonical SMILESCACTVS3.352 Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24
Canonical SMILESOpenEye OEToolkits1.6.1 Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F
InChIInChI1.03 InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
InChIKeyInChI1.03 YPULTKAHHAYKOE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53497554
ChEMBL CHEMBL1927262