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

C135H149ClF12N12O16S3 — CID 157396915

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

2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 157396915) has the molecular formula C135H149ClF12N12O16S3 and a molecular weight of 2555.37 g/mol. Its IUPAC name is 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
• PubChem CID: 157396915
• Molecular Formula: C135H149ClF12N12O16S3
• Molecular Weight: 2555.37 g/mol
• Exact Mass: 2552.99
• IUPAC Name: 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one
• SMILES: COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cccc(C)c1Cl)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O
• InChI: InChI=1S/C23H27ClN2O2.C23H25F3N2O2S.C23H24F3NO4S.C22H24F3N3O2.C22H23F3N2O2S.C22H26N2O4/c1-15-5-4-6-16(22(15)24)11-18-12-17-13-20(26-9-7-25(2)8-10-26)21(28-3)14-19(17)23(18)27;1-27-7-9-28(10-8-27)20-13-16-12-17(22(29)19(16)14-21(20)30-2)11-15-3-5-18(6-4-15)31-23(24,25)26;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;1-27-6-8-28(9-7-27)19-12-14-10-15(21(29)16(14)13-20(19)30-2)11-18-17(22(23,24)25)4-3-5-26-18;1-29-20-13-18-15(12-19(20)27-8-6-26-7-9-27)11-16(21(18)28)10-14-2-4-17(5-3-14)30-22(23,24)25;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/h4-6,13-14,18H,7-12H2,1-3H3;3-6,13-14,17H,7-12H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-5,12-13,15H,6-11H2,1-2H3;2-5,12-13,16,26H,6-11H2,1H3;4-6,13,15H,7-12H2,1-3H3
• InChIKey: BMRHWVFMDIIVFX-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 261.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2555.37
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one (CID 157396915) is 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one.

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

The canonical SMILES for 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(c(N3CCOCC3)c1OC)CC(Cc1ncccc1C)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cccc(C)c1Cl)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ccc(SC(F)(F)F)cc1)C2=O.

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

The InChIKey is BMRHWVFMDIIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2.C23H25F3N2O2S.C23H24F3NO4S.C22H24F3N3O2.C22H23F3N2O2S.C22H26N2O4/c1-15-5-4-6-16(22(15)24)11-18-12-17-13-20(26-9-7-25(2)8-10-26)21(28-3)14-19(17)23(18)27;1-27-7-9-28(10-8-27)20-13-16-12-17(22(29)19(16)14-21(20)30-2)11-15-3-5-18(6-4-15)31-23(24,25)26;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;1-27-6-8-28(9-7-27)19-12-14-10-15(21(29)16(14)13-20(19)30-2)11-18-17(22(23,24)25)4-3-5-26-18;1-29-20-13-18-15(12-19(20)27-8-6-26-7-9-27)11-16(21(18)28)10-14-2-4-17(5-3-14)30-22(23,24)25;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/h4-6,13-14,18H,7-12H2,1-3H3;3-6,13-14,17H,7-12H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-5,12-13,15H,6-11H2,1-2H3;2-5,12-13,16,26H,6-11H2,1H3;4-6,13,15H,7-12H2,1-3H3.

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

2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2555.37 g/mol, XLogP of 24.03, 29 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-3-methylphenyl)methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 157396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).