<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323512</id>
  <title nil="true"/>
  <common-name>1-benzyl-6-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carboxamide</common-name>
  <description>1-benzyl-6-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carboxamide is a chemical compound with the formula C20H25N5O. It has an average molecular weight of 351.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>12575513</pubchem-id>
  <chemical-formula>C20H25N5O</chemical-formula>
  <weight>351.4</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">2026-08-30T00:15:15Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:15:15Z</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>CN1CCN(CC1)C2=NC=C3CCN(C3=C2C(=O)N)CC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C20H25N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C20H25N5O/c1-23-9-11-24(12-10-23)20-17(19(21)26)18-16(13-22-20)7-8-25(18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H2,21,26)</moldb-inchi>
  <moldb-inchikey>SOOHKFFFQCNDMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">351.2059104</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM319405</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>1-benzyl-6-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carboxamide</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>CED0274189</sync-id>
  <structure-inchikey>SOOHKFFFQCNDMC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800000000000200820000000000000010000000000000000000000000400000000000000022004000100000000000000000080001000000000000000000000200000000000000020000000000000000801000000000000000000010000000000000000010000200000020100000000000000000000000000000040200000c00000000000004000001000000100000000080000000000000020000000000000000000080000000000000000080000808000000800000300000000000000000000000000000000000010000000000000200220040080000000000000000000000040008000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������`�������`������@(������@(������@h�������@(�������`�������`�������(������@(������@(�������(�������(�������h��������`������@(������@h�������@h�������@h�������@h�������@h��������������������������� ��h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:27:54Z</structure-indexed-at>
</compound>
