[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol

C76H64F9N9O7 — CID 157487724

IUPAC[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)[nH]c3ncccc23)cn1.COc1ccc(-c2c(CO)n(C)c3ccc(C(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ncccc23)cn1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H18F3NO.C22H18F3N3O2.C17H15F3N2O2.C14H13N3O2/c24-23(25,26)18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)21(15-28)27(20)14-16-7-3-1-4-8-16;1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)22(23,24)25;1-22-13-5-4-11(17(18,19)20)7-12(13)16(14(22)9-23)10-3-6-15(24-2)21-8-10;1-19-12-5-4-9(7-16-12)13-10-3-2-6-15-14(10)17-11(13)8-18/h1-13,28H,14-15H2;2-11,29H,12-13H2,1H3;3-8,23H,9H2,1-2H3;2-7,18H,8H2,1H3,(H,15,17)
InChIKeyBWXIASUZRCTFBD-UHFFFAOYSA-N
MW1386.39 g/mol
LogP16.42
Rot. Bonds15

About [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol

[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 157487724) has the molecular formula C76H64F9N9O7 and a molecular weight of 1386.39 g/mol. Its IUPAC name is [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID157487724
Molecular FormulaC76H64F9N9O7
Molecular Weight1386.39 g/mol
Exact Mass1385.48
IUPAC Name[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)[nH]c3ncccc23)cn1.COc1ccc(-c2c(CO)n(C)c3ccc(C(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ncccc23)cn1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H18F3NO.C22H18F3N3O2.C17H15F3N2O2.C14H13N3O2/c24-23(25,26)18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)21(15-28)27(20)14-16-7-3-1-4-8-16;1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)22(23,24)25;1-22-13-5-4-11(17(18,19)20)7-12(13)16(14(22)9-23)10-3-6-15(24-2)21-8-10;1-19-12-5-4-9(7-16-12)13-10-3-2-6-15-14(10)17-11(13)8-18/h1-13,28H,14-15H2;2-11,29H,12-13H2,1H3;3-8,23H,9H2,1-2H3;2-7,18H,8H2,1H3,(H,15,17)
InChIKeyBWXIASUZRCTFBD-UHFFFAOYSA-N
XLogP16.42
TPSA203.64 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.39
LogP ≤ 516.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
3,6-diphenyl-2-[3-phenyl-5-[(4-phenyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157349374
1-Ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;bis(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tetrakis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157867915
6-[4-(1,1-Difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 158012734
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 158033314
1-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[6-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 158385621
N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 158895446
[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
[3-[6-[4-(Difluoromethoxy)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;[3-[6-(4-methylanilino)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol;[3-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159228825
N-[4-(difluoromethoxy)phenyl]-6-(2-methylindol-1-yl)pyrazin-2-amine;4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol
CID 159592155
(2R)-3-[3-(2-ethoxy-4-pyridinyl)-3-[(3-methylphenyl)methyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[3-[(3-methylphenyl)methyl]-3-[3-(3-methylphenyl)phenyl]-2H-indol-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[3-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-2H-indol-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[3-[(3-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-2H-indol-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[3-[(3-methylphenyl)methyl]-3-(2-propan-2-yloxy-4-pyridinyl)-2H-indol-1-yl]propan-2-ol
CID 159647310

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 157487724) is [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol is COc1ccc(-c2c(CO)[nH]c3ncccc23)cn1.COc1ccc(-c2c(CO)n(C)c3ccc(C(F)(F)F)cc23)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ncccc23)cn1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1.
What is the InChIKey of [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is BWXIASUZRCTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO.C22H18F3N3O2.C17H15F3N2O2.C14H13N3O2/c24-23(25,26)18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)21(15-28)27(20)14-16-7-3-1-4-8-16;1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)22(23,24)25;1-22-13-5-4-11(17(18,19)20)7-12(13)16(14(22)9-23)10-3-6-15(24-2)21-8-10;1-19-12-5-4-9(7-16-12)13-10-3-2-6-15-14(10)17-11(13)8-18/h1-13,28H,14-15H2;2-11,29H,12-13H2,1H3;3-8,23H,9H2,1-2H3;2-7,18H,8H2,1H3,(H,15,17).
What are the key properties of [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 1386.39 g/mol, XLogP of 16.42, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 157487724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).