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SummaryGeometryRelated PDB entries

35W

Summary
Name:7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:C21 H16 N6
Formal charge:0
Formula weight:352.392 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
OpenEye OEToolkits1.7.67-[1-(phenylmethyl)pyrazol-4-yl]-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1ccc(cc1)c2nc5c(nc2)ncc5c3cn(nc3)Cc4ccccc4
InChIInChI1.03InChI=1S/C21H16N6/c1-2-4-15(5-3-1)13-27-14-17(10-25-27)18-11-23-21-20(18)26-19(12-24-21)16-6-8-22-9-7-16/h1-12,14H,13H2,(H,23,24)
InChIKeyInChI1.03DXPGARZCBUYRNE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(n1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4)c5ccccc5
SMILESCACTVS3.385C(n1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5

222415

PDB entries from 2024-07-10

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