321838 <common-name>2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione</common-name> <description>2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione is a chemical compound with the formula C20H21ClN4O3. It has an average molecular weight of 400.90 g/mol.</description> <cas>147297-09-4</cas> <pubchem-id>3073208</pubchem-id> <chemical-formula>C20H21ClN4O3</chemical-formula> <weight>400.9</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">2026-08-29T21:33:00Z</created-at> <updated-at type="dateTime">2026-08-29T21:33:00Z</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>CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl</moldb-smiles> <moldb-formula>C20H21ClN4O3</moldb-formula> <moldb-inchi>InChI=1S/C20H21ClN4O3/c1-13-10-16-17(19(27)22(13)2)20(28)25(18(16)26)12-23-6-8-24(9-7-23)15-5-3-4-14(21)11-15/h3-5,10-11H,6-9,12H2,1-2H3</moldb-inchi> <moldb-inchikey>XXQGEXSFXXEKPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.1302182</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</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>CHEM317731</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-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione</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>CED0272550</sync-id> <structure-inchikey>XXQGEXSFXXEKPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000020800000000000000000008400000000000080000000000000000000000020000000008000000000000100000000000000000000008080800000000000480000088000000000002820000000010000000000000008000000000000000000000000000000111000000000020100000000000000000000000001004040000000800000200000004000000000000000004000000000000000000000000000000000000000080000000000000000000000008004000800000000000040000000000000000000000000001010000000002000001200000000010800000040000000000040000000000000000000000000000000000000000000</structure-fingerprint> 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