QPN

1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

Created: 2020-07-17
Last modified:  2021-07-28

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count11
2D diagram of QPN

Chemical Component Summary

Name1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
FormulaC15 H16 F N3 O
Molecular Weight273.305
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
SMILESOpenEye OEToolkits2.0.7CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1
Canonical SMILESCACTVS3.385 CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
Canonical SMILESOpenEye OEToolkits2.0.7 CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1
InChIInChI1.03 InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3
InChIKeyInChI1.03 PBPQRCMCEYVHIP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156022397