[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

C90H79ClF12N8O14 — CID 162231878

IUPAC[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
SMILESCCc1c(-c2ccc(OC)nc2)c2cc(OC(F)(F)F)ccc2n1C.COc1cc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)cc(OC)c1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)c1
InChIInChI=1S/C25H23F3N2O5.C24H21F3N2O4.C23H18ClF3N2O3.C18H17F3N2O2/c1-32-18-8-15(9-19(10-18)33-2)13-30-21-6-5-17(35-25(26,27)28)11-20(21)24(22(30)14-31)16-4-7-23(34-3)29-12-16;1-31-17-5-3-4-15(10-17)13-29-20-8-7-18(33-24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;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;1-4-14-17(11-5-8-16(24-3)22-10-11)13-9-12(25-18(19,20)21)6-7-15(13)23(14)2/h4-12,31H,13-14H2,1-3H3;3-12,30H,13-14H2,1-2H3;2-11,30H,12-13H2,1H3;5-10H,4H2,1-3H3
InChIKeyZVNPQDMVYCTOPP-UHFFFAOYSA-N
MW1760.09 g/mol
LogP20.84
Rot. Bonds25

About [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

[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 (PubChem CID 162231878) has the molecular formula C90H79ClF12N8O14 and a molecular weight of 1760.09 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID162231878
Molecular FormulaC90H79ClF12N8O14
Molecular Weight1760.09 g/mol
Exact Mass1758.52
IUPAC Name[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
SMILESCCc1c(-c2ccc(OC)nc2)c2cc(OC(F)(F)F)ccc2n1C.COc1cc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)cc(OC)c1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)c1
InChIInChI=1S/C25H23F3N2O5.C24H21F3N2O4.C23H18ClF3N2O3.C18H17F3N2O2/c1-32-18-8-15(9-19(10-18)33-2)13-30-21-6-5-17(35-25(26,27)28)11-20(21)24(22(30)14-31)16-4-7-23(34-3)29-12-16;1-31-17-5-3-4-15(10-17)13-29-20-8-7-18(33-24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;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;1-4-14-17(11-5-8-16(24-3)22-10-11)13-9-12(25-18(19,20)21)6-7-15(13)23(14)2/h4-12,31H,13-14H2,1-3H3;3-12,30H,13-14H2,1-2H3;2-11,30H,12-13H2,1H3;5-10H,4H2,1-3H3
InChIKeyZVNPQDMVYCTOPP-UHFFFAOYSA-N
XLogP20.84
TPSA233.50 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.09
LogP ≤ 520.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze [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 with MolForge

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Related Compounds

[1-[(2-Chlorophenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol
CID 157982712
2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
CID 158982563
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
CID 159195073
[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
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-methoxyphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol
CID 159734621
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-propyl-3-pyridinyl)propan-2-ol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
CID 159944954
[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
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-propyl-3-pyridinyl)propan-2-ol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
CID 161873310
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-propyl-3-pyridinyl)propan-2-ol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
CID 162044235
1-[(3-Chlorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile;1-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile;1-[(4-ethynyl-2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile;1-[(2-fluoro-4-methylphenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile
CID 162162613
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol
CID 158727323
[1-[(2-Chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
CID 159069981

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCc1c(-c2ccc(OC)nc2)c2cc(OC(F)(F)F)ccc2n1C.COc1cc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)cc(OC)c1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(OC(F)(F)F)ccc32)c1.
What is the InChIKey of [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?
The InChIKey is ZVNPQDMVYCTOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5.C24H21F3N2O4.C23H18ClF3N2O3.C18H17F3N2O2/c1-32-18-8-15(9-19(10-18)33-2)13-30-21-6-5-17(35-25(26,27)28)11-20(21)24(22(30)14-31)16-4-7-23(34-3)29-12-16;1-31-17-5-3-4-15(10-17)13-29-20-8-7-18(33-24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;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;1-4-14-17(11-5-8-16(24-3)22-10-11)13-9-12(25-18(19,20)21)6-7-15(13)23(14)2/h4-12,31H,13-14H2,1-3H3;3-12,30H,13-14H2,1-2H3;2-11,30H,12-13H2,1H3;5-10H,4H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 1760.09 g/mol, XLogP of 20.84, 25 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 162231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).