<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">288699</id>
  <title nil="true"/>
  <common-name>3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylic acid</common-name>
  <description>3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylic acid belongs to the imidazopyridines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H18N4O2 and an average molecular weight of 262.31 g/mol.</description>
  <cas>4057-57-2</cas>
  <pubchem-id>77675</pubchem-id>
  <chemical-formula>C13H18N4O2</chemical-formula>
  <weight>262.31</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">2026-08-28T01:49:11Z</created-at>
  <updated-at type="dateTime">2026-08-28T01:49:11Z</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>CCN(CC)CCN1C=NC2=C1N=CC(=C2)C(=O)O</moldb-smiles>
  <moldb-formula>C13H18N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H18N4O2/c1-3-16(4-2)5-6-17-9-15-11-7-10(13(18)19)8-14-12(11)17/h7-9H,3-6H2,1-2H3,(H,18,19)</moldb-inchi>
  <moldb-inchikey>QEPDGBSLJDHUIR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">262.1429758</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.3</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>CHEM284592</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>3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylic acid</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>Imidazopyridines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0240427</sync-id>
  <structure-inchikey>QEPDGBSLJDHUIR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000100000000002000000000000000000002004000000000000000080000000000000000000000000100000000001000800000020000000000000004000000000000000000000010000000020000000104000000000000900000000000000008000040000000040000000004000000000204000000000000000000001000000000000000000000000000000000001084000000000000000090000000000000000000100000000000000000000000000000001000000008000000000000000008000000000000000000002000040000000000400000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>502080000102060480000044010820010010040001052000003420420200018c40022050128000000008410806800000042000a5108c32010002643100a04000c4110408021004000090102002620300000105905121113240000422100089020c280406004002002041001054340000200680700125e0041118282002110002046c00084cd08208080202008e2c0008113c08124440148200061800004000a4804300820010c00002000940017c25100ac000008941084018804200284042110010108404000613018100000401028004400000030050200d0002040a00010010100010000902000000001081132000001000308042000e4008000070000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`������@(������@h�������@(������@(������@(������@(������@h�������@(������@h��������(�������(�������h������������������������������h��	h�	
h�
�h���h��h��h���h��� ��(��� ��h��
h�B�������	
�����
�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:50Z</structure-indexed-at>
</compound>
