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SummaryGeometryRelated PDB entries

362

Summary
Name:2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:C14 H10 N6
Formal charge:0
Formula weight:262.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
OpenEye OEToolkits2.0.72-(1~{H}-pyrazol-4-yl)-7-pyridin-3-yl-5~{H}-pyrrolo[2,3-b]pyrazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
InChIInChI1.06InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
InChIKeyInChI1.06PSBXDBLDXUYIFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2
SMILESCACTVS3.385[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4
SMILESOpenEye OEToolkits2.0.7c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4

218853

PDB entries from 2024-04-24

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