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

C115H122BrF19N10O15 — CID 158782798

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

5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 158782798) has the molecular formula C115H122BrF19N10O15 and a molecular weight of 2325.16 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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: 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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: 158782798
• Molecular Formula: C115H122BrF19N10O15
• Molecular Weight: 2325.16 g/mol
• Exact Mass: 2322.80
• IUPAC Name: 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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(cc1Br)CC(Cc1ccc(C(C)(O)C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O
• InChI: InChI=1S/C26H27F7N2O3.C26H28F6N2O3.C23H28N2O4.C21H22F3N3O2.C19H17BrF3NO3/c1-14-8-16(22(27)19(9-14)24(37,25(28,29)30)26(31,32)33)11-17-10-15-12-20(35-6-4-34(2)5-7-35)21(38-3)13-18(15)23(17)36;1-15-8-16(11-19(9-15)24(36,25(27,28)29)26(30,31)32)10-18-12-17-13-21(34-6-4-33(2)5-7-34)22(37-3)14-20(17)23(18)35;1-23(2,27)18-9-15(13-24-14-18)8-17-10-16-11-20(25-4-6-29-7-5-25)21(28-3)12-19(16)22(17)26;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;1-18(26,19(21,22)23)16-4-3-10(9-24-16)5-12-6-11-7-14(20)15(27-2)8-13(11)17(12)25/h8-9,12-13,17,37H,4-7,10-11H2,1-3H3;8-9,11,13-14,18,36H,4-7,10,12H2,1-3H3;9,11-14,17,27H,4-8,10H2,1-3H3;2-4,11-12,14,25H,5-10H2,1H3;3-4,7-9,12,26H,5-6H2,1-2H3
• InChIKey: IRHJHCWWFFXRIN-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 291.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.16
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 158782798) is 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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(cc1Br)CC(Cc1ccc(C(C)(O)C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1cc(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O.

What is the InChIKey of 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 IRHJHCWWFFXRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F7N2O3.C26H28F6N2O3.C23H28N2O4.C21H22F3N3O2.C19H17BrF3NO3/c1-14-8-16(22(27)19(9-14)24(37,25(28,29)30)26(31,32)33)11-17-10-15-12-20(35-6-4-34(2)5-7-35)21(38-3)13-18(15)23(17)36;1-15-8-16(11-19(9-15)24(36,25(27,28)29)26(30,31)32)10-18-12-17-13-21(34-6-4-33(2)5-7-34)22(37-3)14-20(17)23(18)35;1-23(2,27)18-9-15(13-24-14-18)8-17-10-16-11-20(25-4-6-29-7-5-25)21(28-3)12-19(16)22(17)26;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;1-18(26,19(21,22)23)16-4-3-10(9-24-16)5-12-6-11-7-14(20)15(27-2)8-13(11)17(12)25/h8-9,12-13,17,37H,4-7,10-11H2,1-3H3;8-9,11,13-14,18,36H,4-7,10,12H2,1-3H3;9,11-14,17,27H,4-8,10H2,1-3H3;2-4,11-12,14,25H,5-10H2,1H3;3-4,7-9,12,26H,5-6H2,1-2H3.

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

5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 2325.16 g/mol, XLogP of 19.56, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]methyl]-6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-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 158782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).