<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335770</id>
  <title nil="true"/>
  <common-name>5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3073410</pubchem-id>
  <chemical-formula>C23H25FN6O</chemical-formula>
  <weight>420.5</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">2026-08-30T18:00:41Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:00:41Z</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=NN(C(=O)C2N1N=C(C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)F</moldb-smiles>
  <moldb-formula>C23H25FN6O</moldb-formula>
  <moldb-inchi>InChI=1S/C23H25FN6O/c1-17-25-29(16-27-11-13-28(14-12-27)20-9-7-19(24)8-10-20)23(31)22-15-21(26-30(17)22)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3</moldb-inchi>
  <moldb-inchikey>RSERVYLWROHEFY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">420.2073876</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM331663</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>5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-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>CED0286236</sync-id>
  <structure-inchikey>RSERVYLWROHEFY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000400000200000020802000000000080000008000000000000000214000000000000000000020000000000000002004000100000000000000000000000000000000000000000000000000000000000020000000010010000000148100000080000001000000000000000000000000000000020100000000000001000000100100000040000000800000000000000000800000000500000000000000000000000000008000000000000000080000042000000000000000008000000800000000000000000000000000000000000000021000000000002000000200000000010000000040000000000040000000000000800000400000004001000000000000</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�B���������������
	������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:25Z</structure-indexed-at>
</compound>
