5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-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-morpholin-4-yl-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-(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-morpholin-4-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

C143H147BrF29N9O21 — CID 160867338

About 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one (PubChem CID 160867338) has the molecular formula C143H147BrF29N9O21 and a molecular weight of 2958.64 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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
• PubChem CID: 160867338
• Molecular Formula: C143H147BrF29N9O21
• Molecular Weight: 2958.64 g/mol
• Exact Mass: 2955.94
• 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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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)c1)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(Cc1cncc(C(C)(C)O)c1)C2=O
• InChI: InChI=1S/2C26H28F6N2O3.C25H25F6NO4.C24H21F8NO4.C23H28N2O4.C19H17BrF3NO3/c2*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;1-14-7-15(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;1-23(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;1-18(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/h2*8-9,11,13-14,18,36H,4-7,10,12H2,1-3H3;7-8,10,12-13,17,34H,3-6,9,11H2,1-2H3;2-3,10-11,13,35H,4-9H2,1H3;9,11-14,17,27H,4-8,10H2,1-3H3;3-4,7-9,12,26H,5-6H2,1-2H3
• InChIKey: SLHGGCKADWBWGU-UHFFFAOYSA-N
• XLogP: 25.77
• TPSA: 355.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2958.64
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one (CID 160867338) is 5-bromo-6-methoxy-2-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;2-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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)c1)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(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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one?

The InChIKey is SLHGGCKADWBWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28F6N2O3.C25H25F6NO4.C24H21F8NO4.C23H28N2O4.C19H17BrF3NO3/c2*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;1-14-7-15(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;1-23(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;1-18(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/h2*8-9,11,13-14,18,36H,4-7,10,12H2,1-3H3;7-8,10,12-13,17,34H,3-6,9,11H2,1-2H3;2-3,10-11,13,35H,4-9H2,1H3;9,11-14,17,27H,4-8,10H2,1-3H3;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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one has a molecular weight of 2958.64 g/mol, XLogP of 25.77, 29 rotatable bonds, 6 hydrogen bond donors, and 30 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-[[2,6-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;bis(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-[[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;2-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 160867338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).