About 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 157272900) has the molecular formula C180H160F42N10O27S
and a molecular weight of 3725.29 g/mol. Its IUPAC name is 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.
Frequently Asked Questions
What is the IUPAC name of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 157272900) is 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is C.CCS(=O)(=O)Oc1cc2c(cc1CO)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1-c1ccccc1OC(F)(F)F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1c(F)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.
What is the InChIKey of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is AYTBNBDGESSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F8N2O3.C24H16F7NO3.C24H17F6NO3.2C22H20F5NO3.C22H22F4N2O3.C21H19F4NO4.C19H18F3NO5S.CH4/c1-34-5-7-35(8-6-34)19-11-13-9-14(22(36)15(13)12-20(19)38-2)10-16-18(26)4-3-17(21(16)27)23(37,24(28,29)30)25(31,32)33;1-34-21-11-16-12(8-17(21)15-5-4-14(10-19(15)25)35-24(29,30)31)7-13(22(16)33)9-20-18(23(26,27)28)3-2-6-32-20;1-33-21-12-16-13(10-17(21)15-5-2-3-7-20(15)34-24(28,29)30)9-14(22(16)32)11-19-18(23(25,26)27)6-4-8-31-19;2*1-30-20-11-16-12(9-19(20)28-6-4-13(23)5-7-28)8-17(21(16)29)15-3-2-14(10-18(15)24)31-22(25,26)27;1-27-5-7-28(8-6-27)19-10-13-9-17(21(29)16(13)12-20(19)30-2)15-4-3-14(11-18(15)23)31-22(24,25)26;1-28-19-11-15-12(9-18(19)26-4-6-29-7-5-26)8-16(20(15)27)14-3-2-13(10-17(14)22)30-21(23,24)25;1-2-29(26,27)28-17-9-14-11(7-13(17)10-24)6-12(18(14)25)8-16-15(19(20,21)22)4-3-5-23-16;/h3-4,11-12,14,37H,5-10H2,1-2H3;2-6,8,10-11,13H,7,9H2,1H3;2-8,10,12,14H,9,11H2,1H3;2*2-3,9-11,13,17H,4-8H2,1H3;3-4,10-12,17H,5-9H2,1-2H3;2-3,9-11,16H,4-8H2,1H3;3-5,7,9,12,24H,2,6,8,10H2,1H3;1H4.
What are the key properties of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?
2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 3725.29 g/mol, XLogP of 39.36, 37 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;bis(5-(4-fluoropiperidin-1-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2,3-dihydroinden-1-one);2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;[6-(hydroxymethyl)-3-oxo-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-dihydroinden-5-yl] ethanesulfonate;methane;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 157272900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).