About (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride (PubChem CID 160854334) has the molecular formula C49H49ClF7N7O9S2
and a molecular weight of 1112.54 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride.
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Frequently Asked Questions
What is the IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride?
The IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride (CID 160854334) is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride is COc1cnc(CCC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(C(F)(F)F)nc1.COc1cnc(CN)cc1-c1ccc(C)nc1.Cl.O=C(O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is XZSDAKRCPQNOKQ-AIEGBAPRSA-N. The full InChI is InChI=1S/C25H22F5N3O4S.C13H15N3O.C11H11F2NO4S.ClH/c1-37-23-13-31-18(11-20(23)15-2-9-24(32-12-15)25(28,29)30)5-8-22(34)21-10-17(27)14-33(21)38(35,36)19-6-3-16(26)4-7-19;1-9-3-4-10(7-15-9)12-5-11(6-14)16-8-13(12)17-2;12-7-1-3-9(4-2-7)19(17,18)14-6-8(13)5-10(14)11(15)16;/h2-4,6-7,9,11-13,17,21H,5,8,10,14H2,1H3;3-5,7-8H,6,14H2,1-2H3;1-4,8,10H,5-6H2,(H,15,16);1H/t17-,21+;;8-,10+;/m1.1./s1.
What are the key properties of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride?
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 1112.54 g/mol, XLogP of 7.97, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;[5-methoxy-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 160854334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).