2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

C147H128F41N7O21 — CID 157218233

About 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 157218233) has the molecular formula C147H128F41N7O21 and a molecular weight of 3107.59 g/mol. Its IUPAC name is 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• PubChem CID: 157218233
• Molecular Formula: C147H128F41N7O21
• Molecular Weight: 3107.59 g/mol
• Exact Mass: 3105.85
• IUPAC Name: 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• SMILES: COc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1-c1ccccc1OC(F)(F)F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1c(F)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1c(F)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O
• InChI: InChI=1S/C25H24F8N2O3.2C25H25F6NO4.C24H21F8NO4.C24H16F7NO3.C24H17F6NO3/c1-34-5-7-35(8-6-34)19-11-13-9-14(22(36)15(13)12-20(19)38-2)10-16-18(26)4-3-17(21(16)27)23(37,24(28,29)30)25(31,32)33;2*1-14-7-15(10-18(8-14)23(34,24(26,27)28)25(29,30)31)9-17-11-16-12-20(32-3-5-36-6-4-32)21(35-2)13-19(16)22(17)33;1-36-19-11-14-12(10-18(19)33-4-6-37-7-5-33)8-13(21(14)34)9-15-17(25)3-2-16(20(15)26)22(35,23(27,28)29)24(30,31)32;1-34-21-11-16-12(8-17(21)15-5-4-14(10-19(15)25)35-24(29,30)31)7-13(22(16)33)9-20-18(23(26,27)28)3-2-6-32-20;1-33-21-12-16-13(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/h3-4,11-12,14,37H,5-10H2,1-2H3;2*7-8,10,12-13,17,34H,3-6,9,11H2,1-2H3;2-3,10-11,13,35H,4-9H2,1H3;2-6,8,10-11,13H,7,9H2,1H3;2-8,10,12,14H,9,11H2,1H3
• InChIKey: ASRBYTMTTPAIPZ-UHFFFAOYSA-N
• XLogP: 31.54
• TPSA: 326.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3107.59
LogP ≤ 5	31.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The IUPAC name of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 157218233) is 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1-c1ccccc1OC(F)(F)F)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1c(F)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1c(F)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.

What is the InChIKey of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The InChIKey is ASRBYTMTTPAIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F8N2O3.2C25H25F6NO4.C24H21F8NO4.C24H16F7NO3.C24H17F6NO3/c1-34-5-7-35(8-6-34)19-11-13-9-14(22(36)15(13)12-20(19)38-2)10-16-18(26)4-3-17(21(16)27)23(37,24(28,29)30)25(31,32)33;2*1-14-7-15(10-18(8-14)23(34,24(26,27)28)25(29,30)31)9-17-11-16-12-20(32-3-5-36-6-4-32)21(35-2)13-19(16)22(17)33;1-36-19-11-14-12(10-18(19)33-4-6-37-7-5-33)8-13(21(14)34)9-15-17(25)3-2-16(20(15)26)22(35,23(27,28)29)24(30,31)32;1-34-21-11-16-12(8-17(21)15-5-4-14(10-19(15)25)35-24(29,30)31)7-13(22(16)33)9-20-18(23(26,27)28)3-2-6-32-20;1-33-21-12-16-13(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/h3-4,11-12,14,37H,5-10H2,1-2H3;2*7-8,10,12-13,17,34H,3-6,9,11H2,1-2H3;2-3,10-11,13,35H,4-9H2,1H3;2-6,8,10-11,13H,7,9H2,1H3;2-8,10,12,14H,9,11H2,1H3.

What are the key properties of 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 3107.59 g/mol, XLogP of 31.54, 30 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[2,6-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[2-fluoro-4-(trifluoromethoxy)phenyl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;bis(2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one);6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 157218233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).