2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

C158H169Cl2F17N12O15S — CID 158986509

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 158986509) has the molecular formula C158H169Cl2F17N12O15S and a molecular weight of 2902.10 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• PubChem CID: 158986509
• Molecular Formula: C158H169Cl2F17N12O15S
• Molecular Weight: 2902.10 g/mol
• Exact Mass: 2899.17
• IUPAC Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• SMILES: COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1cccc(C)c1)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C(F)(F)F)ccc1Cl)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cccc(C)c1)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C(F)(F)F)ccc1Cl)C2=O
• InChI: InChI=1S/C24H29NO2.C23H24ClF3N2O2.C23H23F4NO2S.C23H28N2O2.C22H21ClF3NO3.C22H22F4N2O2.C21H22F3N3O2/c1-16-7-9-25(10-8-16)22-14-19-13-20(12-18-6-4-5-17(2)11-18)24(26)21(19)15-23(22)27-3;1-28-5-7-29(8-6-28)20-12-14-9-16(22(30)18(14)13-21(20)31-2)10-15-11-17(23(25,26)27)3-4-19(15)24;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;1-16-5-4-6-17(11-16)12-19-13-18-14-21(25-9-7-24(2)8-10-25)22(27-3)15-20(18)23(19)26;1-29-20-12-17-13(11-19(20)27-4-6-30-7-5-27)8-15(21(17)28)9-14-10-16(22(24,25)26)2-3-18(14)23;1-30-20-12-16-13(11-19(20)28-7-4-15(23)5-8-28)9-14(21(16)29)10-18-17(22(24,25)26)3-2-6-27-18;1-29-19-12-15-13(11-18(19)27-7-5-25-6-8-27)9-14(20(15)28)10-17-16(21(22,23)24)3-2-4-26-17/h4-6,11,14-16,20H,7-10,12-13H2,1-3H3;3-4,11-13,16H,5-10H2,1-2H3;2-5,12-13,16-17H,6-11H2,1H3;4-6,11,14-15,19H,7-10,12-13H2,1-3H3;2-3,10-12,15H,4-9H2,1H3;2-3,6,11-12,14-15H,4-5,7-10H2,1H3;2-4,11-12,14,25H,5-10H2,1H3
• InChIKey: JPQCWCZLXDJZSU-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 260.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2902.10
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 158986509) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(cc1N1CCC(C)CC1)CC(Cc1cccc(C)c1)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCC(F)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C(F)(F)F)ccc1Cl)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cccc(C)c1)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C(F)(F)F)ccc1Cl)C2=O.

What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The InChIKey is JPQCWCZLXDJZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.C23H24ClF3N2O2.C23H23F4NO2S.C23H28N2O2.C22H21ClF3NO3.C22H22F4N2O2.C21H22F3N3O2/c1-16-7-9-25(10-8-16)22-14-19-13-20(12-18-6-4-5-17(2)11-18)24(26)21(19)15-23(22)27-3;1-28-5-7-29(8-6-28)20-12-14-9-16(22(30)18(14)13-21(20)31-2)10-15-11-17(23(25,26)27)3-4-19(15)24;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;1-16-5-4-6-17(11-16)12-19-13-18-14-21(25-9-7-24(2)8-10-25)22(27-3)15-20(18)23(19)26;1-29-20-12-17-13(11-19(20)27-4-6-30-7-5-27)8-15(21(17)28)9-14-10-16(22(24,25)26)2-3-18(14)23;1-30-20-12-16-13(11-19(20)28-7-4-15(23)5-8-28)9-14(21(16)29)10-18-17(22(24,25)26)3-2-6-27-18;1-29-19-12-15-13(11-18(19)27-7-5-25-6-8-27)9-14(20(15)28)10-17-16(21(22,23)24)3-2-4-26-17/h4-6,11,14-16,20H,7-10,12-13H2,1-3H3;3-4,11-13,16H,5-10H2,1-2H3;2-5,12-13,16-17H,6-11H2,1H3;4-6,11,14-15,19H,7-10,12-13H2,1-3H3;2-3,10-12,15H,4-9H2,1H3;2-3,6,11-12,14-15H,4-5,7-10H2,1H3;2-4,11-12,14,25H,5-10H2,1H3.

What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2902.10 g/mol, XLogP of 31.31, 29 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-(4-fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]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-2-[(3-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-2-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 158986509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).