About 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 161323945) has the molecular formula C141H164F9N11O20S3
and a molecular weight of 2600.10 g/mol. Its IUPAC name is 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.
Frequently Asked Questions
What is the IUPAC name of 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (CID 161323945) is 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(c(N3CCC(C)CC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(N3CCC(C)CC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(c(N3CCN(C)CC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(N3CCN(C)CC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ncccc1C)C2=O.
What is the InChIKey of 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is VKNBMKAMHONNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO3S.C24H27F3N2O3S.C24H30N2O3.C23H24F3NO4S.C23H29N3O3.C22H26N2O4/c1-15-8-10-29(11-9-15)22-19-13-17(23(30)20(19)14-21(31-2)24(22)32-3)12-16-4-6-18(7-5-16)33-25(26,27)28;1-28-8-10-29(11-9-28)21-18-13-16(22(30)19(18)14-20(31-2)23(21)32-3)12-15-4-6-17(7-5-15)33-24(25,26)27;1-15-7-10-26(11-8-15)22-18-12-17(13-20-16(2)6-5-9-25-20)23(27)19(18)14-21(28-3)24(22)29-4;1-29-19-13-18-17(20(22(19)30-2)27-7-9-31-10-8-27)12-15(21(18)28)11-14-3-5-16(6-4-14)32-23(24,25)26;1-15-6-5-7-24-19(15)13-16-12-17-18(22(16)27)14-20(28-3)23(29-4)21(17)26-10-8-25(2)9-11-26;1-14-5-4-6-23-18(14)12-15-11-16-17(21(15)25)13-19(26-2)22(27-3)20(16)24-7-9-28-10-8-24/h4-7,14-15,17H,8-13H2,1-3H3;4-7,14,16H,8-13H2,1-3H3;5-6,9,14-15,17H,7-8,10-13H2,1-4H3;3-6,13,15H,7-12H2,1-2H3;5-7,14,16H,8-13H2,1-4H3;4-6,13,15H,7-12H2,1-3H3.
What are the key properties of 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2600.10 g/mol, XLogP of 25.40, 33 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-2-[(3-methyl-2-pyridinyl)methyl]-4-morpholin-4-yl-2,3-dihydroinden-1-one;5,6-dimethoxy-4-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 161323945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).