329589 <common-name>[3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-fluoro-4-methoxyphenyl)methanone</common-name> <description>[3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-fluoro-4-methoxyphenyl)methanone is a chemical compound with the formula C22H13BrF4N2O2S. With an average molecular weight of 525.30 g/mol, [3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-fluoro-4-methoxyphenyl)methanone is a heavy molecule.</description> <cas>618383-52-1</cas> <pubchem-id>5011366</pubchem-id> <chemical-formula>C22H13BrF4N2O2S</chemical-formula> <weight>525.3</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">2026-08-30T09:55:22Z</created-at> <updated-at type="dateTime">2026-08-30T09:55:22Z</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>COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)Br)N)F</moldb-smiles> <moldb-formula>C22H13BrF4N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C22H13BrF4N2O2S/c1-31-16-7-4-11(8-14(16)24)19(30)20-18(28)17-13(22(25,26)27)9-15(29-21(17)32-20)10-2-5-12(23)6-3-10/h2-9H,28H2,1H3</moldb-inchi> <moldb-inchikey>RUGNDXHANQQVTH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">523.98172</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM325482</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-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-fluoro-4-methoxyphenyl)methanone</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>Phenylpropanoids and polyketides</superklass> <klass>Diarylheptanoids</klass> <subklass>Linear diarylheptanoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0280150</sync-id> <structure-inchikey>RUGNDXHANQQVTH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000200002200000000002000000000000000000000400208100010000000000000000000002200000000100000000000001000000001000000000000008000002000000000000020000010000110000000800000000000040000014000000040000000100000800408000000000000000804000000000000000040000000000000000000000004801000000000000000000000000000000000000000000000008000084000000000020000044000000000000000000080000000000000000000000180004000000000004000000000000200000000000000000000008001000040000000000400800040000030009000000000000000</structure-fingerprint> 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AAABBwBoAAAAAwECCQAgAAAAAQsAAQABAiACA2gMAwRoDAQFaAwFBmgMBgdo DAUIIAgJKAIICiAKC2gMCwxoDAwNaAwNDmgMDQ9oDA8QaAwQEWgMERJoDBIT ABMUABMVABMWABAXIBcYaAwYGWgMGRpoDBobaAwbHGgMGh0ACx4gAx8ABwJo DA4KaAwSDGgMHBdoDEIEAAAABgIHBgUEAwULCg4NDAYPEBESDA0GGBkaGxwX FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:22Z</structure-indexed-at> </compound>