5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one

C166H187F19N14O16S4 — CID 157287744

IUPAC5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O
InChIInChI=1S/C25H29F3N2O3S.C24H27F3N2O2S.C24H26F3NO2S.C24H31N3O3.C23H23F4NO2S.C23H26F3N3O2.C23H25F3N2O2/c1-30-10-8-17(9-11-30)29-22-19-13-16(23(31)20(19)14-21(32-2)24(22)33-3)12-15-4-6-18(7-5-15)34-25(26,27)28;1-29-9-7-18(8-10-29)28-21-13-16-12-17(23(30)20(16)14-22(21)31-2)11-15-3-5-19(6-4-15)32-24(25,26)27;1-15-7-9-28(10-8-15)21-13-17-12-18(23(29)20(17)14-22(21)30-2)11-16-3-5-19(6-4-16)31-24(25,26)27;1-15-6-5-9-25-20(15)13-16-12-18-19(23(16)28)14-21(29-3)24(30-4)22(18)26-17-7-10-27(2)11-8-17;1-30-21-13-19-15(12-20(21)28-8-6-17(24)7-9-28)11-16(22(19)29)10-14-2-4-18(5-3-14)31-23(25,26)27;1-29-8-5-16(6-9-29)28-20-11-14-10-15(22(30)17(14)13-21(20)31-2)12-19-18(23(24,25)26)4-3-7-27-19;1-14-5-8-28(9-6-14)20-12-15-10-16(22(29)17(15)13-21(20)30-2)11-19-18(23(24,25)26)4-3-7-27-19/h4-7,14,16-17,29H,8-13H2,1-3H3;3-6,13-14,17-18,28H,7-12H2,1-2H3;3-6,13-15,18H,7-12H2,1-2H3;5-6,9,14,16-17,26H,7-8,10-13H2,1-4H3;2-5,12-13,16-17H,6-11H2,1H3;3-4,7,11,13,15-16,28H,5-6,8-10,12H2,1-2H3;3-4,7,12-14,16H,5-6,8-11H2,1-2H3
InChIKeyBAKZEFLXIOTOTN-UHFFFAOYSA-N
MW3123.63 g/mol
LogP35.48
Rot. Bonds38

About 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one

5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 157287744) has the molecular formula C166H187F19N14O16S4 and a molecular weight of 3123.63 g/mol. Its IUPAC name is 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
PubChem CID157287744
Molecular FormulaC166H187F19N14O16S4
Molecular Weight3123.63 g/mol
Exact Mass3121.28
IUPAC Name5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O
InChIInChI=1S/C25H29F3N2O3S.C24H27F3N2O2S.C24H26F3NO2S.C24H31N3O3.C23H23F4NO2S.C23H26F3N3O2.C23H25F3N2O2/c1-30-10-8-17(9-11-30)29-22-19-13-16(23(31)20(19)14-21(32-2)24(22)33-3)12-15-4-6-18(7-5-15)34-25(26,27)28;1-29-9-7-18(8-10-29)28-21-13-16-12-17(23(30)20(16)14-22(21)31-2)11-15-3-5-19(6-4-15)32-24(25,26)27;1-15-7-9-28(10-8-15)21-13-17-12-18(23(29)20(17)14-22(21)30-2)11-16-3-5-19(6-4-16)31-24(25,26)27;1-15-6-5-9-25-20(15)13-16-12-18-19(23(16)28)14-21(29-3)24(30-4)22(18)26-17-7-10-27(2)11-8-17;1-30-21-13-19-15(12-20(21)28-8-6-17(24)7-9-28)11-16(22(19)29)10-14-2-4-18(5-3-14)31-23(25,26)27;1-29-8-5-16(6-9-29)28-20-11-14-10-15(22(30)17(14)13-21(20)31-2)12-19-18(23(24,25)26)4-3-7-27-19;1-14-5-8-28(9-6-14)20-12-15-10-16(22(29)17(15)13-21(20)30-2)11-19-18(23(24,25)26)4-3-7-27-19/h4-7,14,16-17,29H,8-13H2,1-3H3;3-6,13-14,17-18,28H,7-12H2,1-2H3;3-6,13-15,18H,7-12H2,1-2H3;5-6,9,14,16-17,26H,7-8,10-13H2,1-4H3;2-5,12-13,16-17H,6-11H2,1H3;3-4,7,11,13,15-16,28H,5-6,8-10,12H2,1-2H3;3-4,7,12-14,16H,5-6,8-11H2,1-2H3
InChIKeyBAKZEFLXIOTOTN-UHFFFAOYSA-N
XLogP35.48
TPSA312.03 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003123.63
LogP ≤ 535.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (CID 157287744) is 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(NC3CCN(C)CC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1NC1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.
What is the InChIKey of 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is BAKZEFLXIOTOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O3S.C24H27F3N2O2S.C24H26F3NO2S.C24H31N3O3.C23H23F4NO2S.C23H26F3N3O2.C23H25F3N2O2/c1-30-10-8-17(9-11-30)29-22-19-13-16(23(31)20(19)14-21(32-2)24(22)33-3)12-15-4-6-18(7-5-15)34-25(26,27)28;1-29-9-7-18(8-10-29)28-21-13-16-12-17(23(30)20(16)14-22(21)31-2)11-15-3-5-19(6-4-15)32-24(25,26)27;1-15-7-9-28(10-8-15)21-13-17-12-18(23(29)20(17)14-22(21)30-2)11-16-3-5-19(6-4-16)31-24(25,26)27;1-15-6-5-9-25-20(15)13-16-12-18-19(23(16)28)14-21(29-3)24(30-4)22(18)26-17-7-10-27(2)11-8-17;1-30-21-13-19-15(12-20(21)28-8-6-17(24)7-9-28)11-16(22(19)29)10-14-2-4-18(5-3-14)31-23(25,26)27;1-29-8-5-16(6-9-29)28-20-11-14-10-15(22(30)17(14)13-21(20)31-2)12-19-18(23(24,25)26)4-3-7-27-19;1-14-5-8-28(9-6-14)20-12-15-10-16(22(29)17(15)13-21(20)30-2)11-19-18(23(24,25)26)4-3-7-27-19/h4-7,14,16-17,29H,8-13H2,1-3H3;3-6,13-14,17-18,28H,7-12H2,1-2H3;3-6,13-15,18H,7-12H2,1-2H3;5-6,9,14,16-17,26H,7-8,10-13H2,1-4H3;2-5,12-13,16-17H,6-11H2,1H3;3-4,7,11,13,15-16,28H,5-6,8-10,12H2,1-2H3;3-4,7,12-14,16H,5-6,8-11H2,1-2H3.
What are the key properties of 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one?
5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 3123.63 g/mol, XLogP of 35.48, 38 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroinden-1-one;5,6-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-[(1-methylpiperidin-4-yl)amino]-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 157287744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).