About 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone (PubChem CID 160587962) has the molecular formula C129H112F15N29O15S7
and a molecular weight of 2817.94 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone (CID 160587962) is 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone is Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccc(CN2CCCCC2)c1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccc(CN2CCOCC2)c1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccnn1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ncccc1F.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C(C)(C)c1cccnc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2cccnc2)CC1.O=C(NO)c1cc(F)c(Cc2nnc(-c3cccnc3)s2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The InChIKey is RCQDEBLKGVGFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S.C22H22F2N4O3S.C19H16F2N4O2S.C19H18F2N4O2S.C16H11F3N4O2S.C15H11F2N5O2S.C15H10F2N4O2S/c1-28-22(16-7-5-6-15(10-16)13-29-8-3-2-4-9-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-27-21(15-4-2-3-14(9-15)12-28-5-7-31-8-6-28)25-26-22(27)32-20-17(23)10-16(11-18(20)24)19(30)13-29;1-25-17(19(4-5-19)12-3-2-6-22-9-12)23-24-18(25)28-16-13(20)7-11(8-14(16)21)15(27)10-26;1-19(2,12-5-4-6-22-9-12)17-23-24-18(25(17)3)28-16-13(20)7-11(8-14(16)21)15(27)10-26;1-23-15(13-9(17)3-2-4-20-13)21-22-16(23)26-14-10(18)5-8(6-11(14)19)12(25)7-24;1-22-14(11-3-2-4-18-19-11)20-21-15(22)25-13-9(16)5-8(6-10(13)17)12(24)7-23;16-11-4-9(14(22)21-23)5-12(17)10(11)6-13-19-20-15(24-13)8-2-1-3-18-7-8/h5-7,10-12,30H,2-4,8-9,13-14H2,1H3;2-4,9-11,29H,5-8,12-13H2,1H3;2-3,6-9,26H,4-5,10H2,1H3;4-9,26H,10H2,1-3H3;2-6,24H,7H2,1H3;2-6,23H,7H2,1H3;1-5,7,23H,6H2,(H,21,22).
What are the key properties of 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone has a molecular weight of 2817.94 g/mol, XLogP of 20.11, 40 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 160587962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).