<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 05:02:48 UTC</creation_date>
  <update_date>2026-08-22 05:02:48 UTC</update_date>
  <accession/>
  <common_name>[6-fluoro-3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,5-dihydro-2,4-benzodioxepin-9-yl] methanesulfonate</common_name>
  <class>SmallMolecule</class>
  <description>[6-fluoro-3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,5-dihydro-2,4-benzodioxepin-9-yl] methanesulfonate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 618.60 g/mol, [6-fluoro-3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,5-dihydro-2,4-benzodioxepin-9-yl] methanesulfonate is a heavy molecule. Its chemical formula is C25H26F4N4O6S2.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C25H26F4N4O6S2</chemical_formula>
  <average_molecular_weight>618.6</average_molecular_weight>
  <monisotopic_moleculate_weight>618.1229896</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1879929-70-0</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C25H26F4N4O6S2/c1-14-9-21(25(27,28)29)31-33(14)10-22(34)32-7-5-15(6-8-32)23-30-19(13-40-23)24-37-11-16-17(12-38-24)20(4-3-18(16)26)39-41(2,35)36/h3-4,9,13,15,24H,5-8,10-12H2,1-2H3</inchi>
  <inchikey>UYWFLHVJGRXRHQ-UHFFFAOYSA-N</inchikey>
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    <sub_class/>
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    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>618.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>618.1229896</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C25H26F4N4O6S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C25H26F4N4O6S2/c1-14-9-21(25(27,28)29)31-33(14)10-22(34)32-7-5-15(6-8-32)23-30-19(13-40-23)24-37-11-16-17(12-38-24)20(4-3-18(16)26)39-41(2,35)36/h3-4,9,13,15,24H,5-8,10-12H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UYWFLHVJGRXRHQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <hmdb_id/>
  <pubchem_compound_id>129239869</pubchem_compound_id>
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