About [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one
[2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one (PubChem CID 158009966) has the molecular formula C47H40F11N7O7S2
and a molecular weight of 1087.99 g/mol. Its IUPAC name is [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one.
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Frequently Asked Questions
What is the IUPAC name of [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one?
The IUPAC name of [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one (CID 158009966) is [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one.
What is the SMILES notation for [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one?
The canonical SMILES for [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one is NCc1cc(-c2ccc(C(F)F)nc2)ncc1F.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one?
The InChIKey is FETLBJMQIZBNQF-UXQSJZMDSA-N. The full InChI is InChI=1S/C24H19F6N3O3S.C12H10F3N3.C11H11F2NO4S/c25-16-3-5-18(6-4-16)37(35,36)33-13-17(26)10-21(33)22(34)7-1-14-9-20(31-12-19(14)27)15-2-8-23(32-11-15)24(28,29)30;13-9-6-18-11(3-8(9)4-16)7-1-2-10(12(14)15)17-5-7;12-7-1-3-9(4-2-7)19(17,18)14-6-8(13)5-10(14)11(15)16/h2-6,8-9,11-12,17,21H,1,7,10,13H2;1-3,5-6,12H,4,16H2;1-4,8,10H,5-6H2,(H,15,16)/t17-,21+;;8-,10+/m1.1/s1.
What are the key properties of [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one?
[2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one has a molecular weight of 1087.99 g/mol, XLogP of 8.43, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(difluoromethyl)-3-pyridinyl]-5-fluoro-4-pyridinyl]methanamine;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one is sourced from PubChem (CID 158009966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).