331580 <common-name>2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one</common-name> <description>2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is a chemical compound with the formula C22H24N6O. It has an average molecular weight of 388.50 g/mol.</description> <cas>139477-46-6</cas> <pubchem-id>132240</pubchem-id> <chemical-formula>C22H24N6O</chemical-formula> <weight>388.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T12:26:54Z</created-at> <updated-at type="dateTime">2026-08-30T12:26:54Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=NC5=CC=CC=C5C=C4</moldb-smiles> <moldb-formula>C22H24N6O</moldb-formula> <moldb-inchi>InChI=1S/C22H24N6O/c29-22-27-12-4-3-8-21(27)24-28(22)13-5-11-25-14-16-26(17-15-25)20-10-9-18-6-1-2-7-19(18)23-20/h1-4,6-10,12H,5,11,13-17H2</moldb-inchi> <moldb-inchikey>SPTHERJMPORMKM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">388.2011594</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM327473</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282114</sync-id> <structure-inchikey>SPTHERJMPORMKM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000004002080000000000000000002000008000010000000000000000000004000002000000000000000208000010000000000000000000000000000010000000000000000008000000010002400000000000000000000000000001000000008001000000000000000000000000102010000000000000000000000000000000000000180440000080000400000010000010000000000000000000001000000000000800000000008000000000000000000000000a000000800000000000000000000000000000000000000000000000000000000000200000000010000000000000001000040000008010000000011080040000000000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������(�������`�������`������� ������`�������`�������`������@(������@(�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@h�������@h�������������������������������� � h� �(� �h�� h� �h���h���h���h���h��� ��h���h���h���h���h���h���h���h���h����� h���h���h���h�B������������ ���� �����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:02Z</structure-indexed-at> </compound>