[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

C93H75BrF14N8O12 — CID 159542441

IUPAC[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cc(C)cc(F)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3F)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C24H20F4N2O3.C23H18BrF3N2O3.C23H18F4N2O3.C23H19F3N2O3/c1-14-7-15(9-17(25)8-14)12-30-20-5-4-18(33-24(26,27)28)10-19(20)23(21(30)13-31)16-3-6-22(32-2)29-11-16;1-31-21-8-5-15(11-28-21)22-18-10-17(32-23(25,26)27)6-7-19(18)29(20(22)13-30)12-14-3-2-4-16(24)9-14;1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24;1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h3-11,31H,12-13H2,1-2H3;2*2-11,30H,12-13H2,1H3;2-12,29H,13-14H2,1H3
InChIKeyMEJRGHVFOQXXBW-UHFFFAOYSA-N
MW1842.54 g/mol
LogP21.95
Rot. Bonds24

About [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 159542441) has the molecular formula C93H75BrF14N8O12 and a molecular weight of 1842.54 g/mol. Its IUPAC name is [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID159542441
Molecular FormulaC93H75BrF14N8O12
Molecular Weight1842.54 g/mol
Exact Mass1840.45
IUPAC Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cc(C)cc(F)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3F)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C24H20F4N2O3.C23H18BrF3N2O3.C23H18F4N2O3.C23H19F3N2O3/c1-14-7-15(9-17(25)8-14)12-30-20-5-4-18(33-24(26,27)28)10-19(20)23(21(30)13-31)16-3-6-22(32-2)29-11-16;1-31-21-8-5-15(11-28-21)22-18-10-17(32-23(25,26)27)6-7-19(18)29(20(22)13-30)12-14-3-2-4-16(24)9-14;1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24;1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h3-11,31H,12-13H2,1-2H3;2*2-11,30H,12-13H2,1H3;2-12,29H,13-14H2,1H3
InChIKeyMEJRGHVFOQXXBW-UHFFFAOYSA-N
XLogP21.95
TPSA226.04 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.54
LogP ≤ 521.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol with MolForge

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Related Compounds

[1-[(3-Bromophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967085
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 157979266
[5-[(3-Bromophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
CID 158129706
3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
CID 158970179
2-(3,6-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 158994730
[1-[(3-Bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-phenyl-1-[[3-(trifluoromethoxy)phenyl]methyl]-5-(trifluoromethyl)indol-2-yl]methanol
CID 159127608
[1-[[3-(1,1-Difluoroethyl)phenyl]methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159132474
[1-[(2-Chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol
CID 160567817
1-Benzyl-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylsulfonylindol-2-yl]methanol;[1-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-(6-methoxy-3-pyridinyl)-5-methylsulfonylindol-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylsulfonylindol-2-yl]methanol
CID 161588741
(S)-[(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(S)-[(2R)-1-[(3-bromo-5-methylphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(S)-[(2R)-1-[(3,5-ditert-butylphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(S)-[(2R)-1-[(3,5-ditert-butylphenyl)methyl]-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(S)-[(2R)-1-[(3,5-dimethylphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;pentakis(yttrium)
CID 162022911
[1-[(2-Chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3,5-dimethoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;2-ethyl-3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethoxy)indole;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 162231878
3-Tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole
CID 158230815

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (CID 159542441) is [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cc(C)cc(F)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3F)c3ccc(OC(F)(F)F)cc23)cn1.
What is the InChIKey of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is MEJRGHVFOQXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O3.C23H18BrF3N2O3.C23H18F4N2O3.C23H19F3N2O3/c1-14-7-15(9-17(25)8-14)12-30-20-5-4-18(33-24(26,27)28)10-19(20)23(21(30)13-31)16-3-6-22(32-2)29-11-16;1-31-21-8-5-15(11-28-21)22-18-10-17(32-23(25,26)27)6-7-19(18)29(20(22)13-30)12-14-3-2-4-16(24)9-14;1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24;1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h3-11,31H,12-13H2,1-2H3;2*2-11,30H,12-13H2,1H3;2-12,29H,13-14H2,1H3.
What are the key properties of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 1842.54 g/mol, XLogP of 21.95, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 159542441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).