2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

C136H147F21N16O18 — CID 158488650

About 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one

2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 158488650) has the molecular formula C136H147F21N16O18 and a molecular weight of 2692.72 g/mol. Its IUPAC name is 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• PubChem CID: 158488650
• Molecular Formula: C136H147F21N16O18
• Molecular Weight: 2692.72 g/mol
• Exact Mass: 2691.07
• IUPAC Name: 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
• SMILES: COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(CCO)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O
• InChI: InChI=1S/C24H31N3O3.2C23H22F6N2O4.C23H26F3N3O3.C22H24F3N3O2.C21H22F3N3O2/c1-24(2,29)19-10-16(14-25-15-19)9-18-11-17-12-21(27-7-5-26(3)6-8-27)22(30-4)13-20(17)23(18)28;1-34-19-10-17-14(9-18(19)31-2-4-35-5-3-31)8-15(20(17)32)6-13-7-16(12-30-11-13)21(33,22(24,25)26)23(27,28)29;1-34-18-12-16-13(11-17(18)31-5-7-35-8-6-31)9-14(20(16)32)10-15-3-2-4-19(30-15)21(33,22(24,25)26)23(27,28)29;1-32-21-14-17-15(13-20(21)29-7-5-28(6-8-29)9-10-30)11-16(22(17)31)12-19-18(23(24,25)26)3-2-4-27-19;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;1-29-19-12-15-13(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/h10,12-15,18,29H,5-9,11H2,1-4H3;7,9-12,15,33H,2-6,8H2,1H3;2-4,11-12,14,33H,5-10H2,1H3;2-4,13-14,16,30H,5-12H2,1H3;3-5,12-13,15H,6-11H2,1-2H3;2-4,11-12,14,25H,5-10H2,1H3
• InChIKey: HIKOMOYLIBXVQR-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 375.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2692.72
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The IUPAC name of 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 158488650) is 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The canonical SMILES for 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(CCO)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.

What is the InChIKey of 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

The InChIKey is HIKOMOYLIBXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.2C23H22F6N2O4.C23H26F3N3O3.C22H24F3N3O2.C21H22F3N3O2/c1-24(2,29)19-10-16(14-25-15-19)9-18-11-17-12-21(27-7-5-26(3)6-8-27)22(30-4)13-20(17)23(18)28;1-34-19-10-17-14(9-18(19)31-2-4-35-5-3-31)8-15(20(17)32)6-13-7-16(12-30-11-13)21(33,22(24,25)26)23(27,28)29;1-34-18-12-16-13(11-17(18)31-5-7-35-8-6-31)9-14(20(16)32)10-15-3-2-4-19(30-15)21(33,22(24,25)26)23(27,28)29;1-32-21-14-17-15(13-20(21)29-7-5-28(6-8-29)9-10-30)11-16(22(17)31)12-19-18(23(24,25)26)3-2-4-27-19;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;1-29-19-12-15-13(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/h10,12-15,18,29H,5-9,11H2,1-4H3;7,9-12,15,33H,2-6,8H2,1H3;2-4,11-12,14,33H,5-10H2,1H3;2-4,13-14,16,30H,5-12H2,1H3;3-5,12-13,15H,6-11H2,1-2H3;2-4,11-12,14,25H,5-10H2,1H3.

What are the key properties of 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one?

2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2692.72 g/mol, XLogP of 19.74, 29 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;5-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-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-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 158488650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).