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SummaryGeometryRelated PDB entries

XQX

Summary
Name:cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone
Formula:C25 H30 N6 O
Formal charge:0
Formula weight:430.545 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone
OpenEye OEToolkits2.0.7cyclopropyl-[4-[6-(4-piperazin-1-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1CC1)N1CCN(CC1)c1ccnn2cc(cc12)c1ccc(cc1)N1CCNCC1
InChIInChI1.06InChI=1S/C25H30N6O/c32-25(20-1-2-20)30-15-13-29(14-16-30)23-7-8-27-31-18-21(17-24(23)31)19-3-5-22(6-4-19)28-11-9-26-10-12-28/h3-8,17-18,20,26H,1-2,9-16H2
InChIKeyInChI1.06DCXFSRBQKGWSAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(C1CC1)N2CCN(CC2)c3ccnn4cc(cc34)c5ccc(cc5)N6CCNCC6
SMILESCACTVS3.385O=C(C1CC1)N2CCN(CC2)c3ccnn4cc(cc34)c5ccc(cc5)N6CCNCC6
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1c2cc3c(ccnn3c2)N4CCN(CC4)C(=O)C5CC5)N6CCNCC6
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2cc3c(ccnn3c2)N4CCN(CC4)C(=O)C5CC5)N6CCNCC6

250359

PDB entries from 2026-03-11

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