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SummaryGeometryRelated PDB entries

SM7

Summary
Name:6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole
Formula:C23 H20 N6
Formal charge:0
Formula weight:380.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole
OpenEye OEToolkits1.7.06-(1-piperidin-4-yl-3-pyridin-4-yl-pyrazol-4-yl)indeno[1,2-c]pyrazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N6=NC=5C(C=C4C=5C=CC(c1cn(nc1c2ccncc2)C3CCNCC3)=C4)=C6
SMILES_CANONICALCACTVS3.370C1CC(CCN1)n2cc(C3=CC4=CC5=CN=NC5=C4C=C3)c(n2)c6ccncc6
SMILESCACTVS3.370C1CC(CCN1)n2cc(C3=CC4=CC5=CN=NC5=C4C=C3)c(n2)c6ccncc6
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4
SMILESOpenEye OEToolkits1.7.0c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4
InChIInChI1.03InChI=1S/C23H20N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11-14,19,25H,5-6,9-10H2
InChIKeyInChI1.03INSHJFDTYUIUOG-UHFFFAOYSA-N

225946

PDB entries from 2024-10-09

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