<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 20:14:49 UTC</creation_date>
  <update_date>2026-08-20 05:47:47 UTC</update_date>
  <accession/>
  <common_name>Branebrutinib</common_name>
  <class>SmallMolecule</class>
  <description>Branebrutinib is an organic compound with the formula C20H23FN4O2 and an average molecular weight of 370.43 g/mol. Branebrutinib belongs to the indolecarboxylic acids and derivatives, a subclass of indoles and derivatives within the organic compounds. In terms of biological activity, it acts as an inhibitor of the protein target tyrosine-protein kinase BTK. This compound has been recorded as being found in or released from two sources: contacts and amplifiers within electrical and electronic equipment.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H23FN4O2</chemical_formula>
  <average_molecular_weight>370.428</average_molecular_weight>
  <monisotopic_moleculate_weight>370.18050416</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1912445-55-6</cas_registry_number>
  <smiles>CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O</smiles>
  <inchi>InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1</inchi>
  <inchikey>VJPPLCNBDLZIFG-ZDUSSCGKSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.62</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>average_mass</kind>
      <value>370.428</value>
      <source>ChemAxon</source>
    </property>
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      <kind>mono_mass</kind>
      <value>370.18050416</value>
      <source>ChemAxon</source>
    </property>
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      <value>CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H23FN4O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VJPPLCNBDLZIFG-ZDUSSCGKSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id>DB15347</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>121293929</pubchem_compound_id>
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