9WG

4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

Created:2017-06-17
Last modified:  2017-06-28

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count17
2D diagram of 9WG

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Chemical Component Summary

Name4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Systematic Name (OpenEye OEToolkits)4-[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]-6-methyl-7~{H}-pyrrolo[3,4-b]pyridin-5-one
FormulaC18 H15 F N4 O
Molecular Weight322.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(c1c2C(N(Cc2ncc1)C)=O)cn(C)nc3c4ccc(F)cc4
SMILESCACTVS3.385CN1Cc2nccc(c3cn(C)nc3c4ccc(F)cc4)c2C1=O
SMILESOpenEye OEToolkits2.0.6Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C
Canonical SMILESCACTVS3.385 CN1Cc2nccc(c3cn(C)nc3c4ccc(F)cc4)c2C1=O
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C
InChIInChI1.03 InChI=1S/C18H15FN4O/c1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3
InChIKeyInChI1.03 NGDXEOHYWJHBTJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 57382333