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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

C147H130F30N8O24S — CID 158011494

About 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 158011494) has the molecular formula C147H130F30N8O24S and a molecular weight of 2994.70 g/mol. Its IUPAC name is 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• PubChem CID: 158011494
• Molecular Formula: C147H130F30N8O24S
• Molecular Weight: 2994.70 g/mol
• Exact Mass: 2992.84
• IUPAC Name: 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• SMILES: CCS(=O)(=O)Oc1cc2c(cc1CO)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(c1ccc(OC(F)(F)F)cc1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.O=C1c2cc(O)c(CO)cc2CC1Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C24H17F6NO3.2C22H20F5NO3.C22H22F4N2O3.C21H19F4NO4.C19H18F3NO5S.C17H14F3NO3/c1-33-21-12-16-13(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;18-17(19,20)13-2-1-3-21-14(13)6-10-4-9-5-11(8-22)15(23)7-12(9)16(10)24/h2-8,10,12,14H,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;1-3,5,7,10,22-23H,4,6,8H2
• InChIKey: FEXZVYBGYXAIIS-UHFFFAOYSA-N
• XLogP: 30.57
• TPSA: 379.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2994.70
LogP ≤ 5	30.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The IUPAC name of 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 158011494) is 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is CCS(=O)(=O)Oc1cc2c(cc1CO)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(c1ccc(OC(F)(F)F)cc1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(c1ccc(OC(F)(F)F)cc1F)C2=O.O=C1c2cc(O)c(CO)cc2CC1Cc1ncccc1C(F)(F)F.

What is the InChIKey of 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The InChIKey is FEXZVYBGYXAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6NO3.2C22H20F5NO3.C22H22F4N2O3.C21H19F4NO4.C19H18F3NO5S.C17H14F3NO3/c1-33-21-12-16-13(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;18-17(19,20)13-2-1-3-21-14(13)6-10-4-9-5-11(8-22)15(23)7-12(9)16(10)24/h2-8,10,12,14H,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;1-3,5,7,10,22-23H,4,6,8H2.

What are the key properties of 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2994.70 g/mol, XLogP of 30.57, 30 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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;6-hydroxy-5-(hydroxymethyl)-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;6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 158011494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).