ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate

C128H125F6N11O14S2 — CID 159358671

IUPACethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1ccncc1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1ccncc1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1
InChIInChI=1S/2C20H18F3NO2.C20H21NO2.2C18H18N2O2.2C16H16N2O2S/c1-3-26-19(25)18-11-15-9-13(2)7-8-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-3-26-19(25)18-11-15-8-7-13(2)9-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-4-23-20(22)19-12-17-11-15(3)8-9-18(17)21(19)13-16-7-5-6-14(2)10-16;1-3-22-18(21)17-11-15-10-13(2)4-5-16(15)20(17)12-14-6-8-19-9-7-14;1-3-22-18(21)17-11-15-5-4-13(2)10-16(15)20(17)12-14-6-8-19-9-7-14;1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15;1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h2*4-11H,3,12H2,1-2H3;5-12H,4,13H2,1-3H3;2*4-11H,3,12H2,1-2H3;2*4-9H,3,10H2,1-2H3
InChIKeyLIGCOJKOWSVHQR-UHFFFAOYSA-N
MW2219.59 g/mol
LogP29.27
Rot. Bonds28

About ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate

ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate (PubChem CID 159358671) has the molecular formula C128H125F6N11O14S2 and a molecular weight of 2219.59 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
PubChem CID159358671
Molecular FormulaC128H125F6N11O14S2
Molecular Weight2219.59 g/mol
Exact Mass2217.88
IUPAC Nameethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1ccncc1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1ccncc1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1
InChIInChI=1S/2C20H18F3NO2.C20H21NO2.2C18H18N2O2.2C16H16N2O2S/c1-3-26-19(25)18-11-15-9-13(2)7-8-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-3-26-19(25)18-11-15-8-7-13(2)9-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-4-23-20(22)19-12-17-11-15(3)8-9-18(17)21(19)13-16-7-5-6-14(2)10-16;1-3-22-18(21)17-11-15-10-13(2)4-5-16(15)20(17)12-14-6-8-19-9-7-14;1-3-22-18(21)17-11-15-5-4-13(2)10-16(15)20(17)12-14-6-8-19-9-7-14;1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15;1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h2*4-11H,3,12H2,1-2H3;5-12H,4,13H2,1-3H3;2*4-11H,3,12H2,1-2H3;2*4-9H,3,10H2,1-2H3
InChIKeyLIGCOJKOWSVHQR-UHFFFAOYSA-N
XLogP29.27
TPSA270.17 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.59
LogP ≤ 529.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate with MolForge

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Related Compounds

Ethyl 5-trifluoromethyl-1-[(thiazol-2-yl)]methyl-1H-indole-2-carboxylate
CID 66888728
Ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 159534677
[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(2,2-difluoroethyl)indole-5-carboxylic acid;[1-(2,2-difluoroethyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;methyl 1-(2,2-difluoroethyl)indole-5-carboxylate;methyl 1H-indole-5-carboxylate;1,1,1-trifluoro-2-iodoethane
CID 159680939
Ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane
CID 160930043
Ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 123724710
Lithium;1-(4-fluorophenyl)indole-5-carboxylic acid;[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;methyl 1-(4-fluorophenyl)indole-5-carboxylate;hydroxide;hydrochloride
CID 157900371

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate (CID 159358671) is ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate is CCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1ccncc1.CCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1ccncc1.CCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1.
What is the InChIKey of ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate?
The InChIKey is LIGCOJKOWSVHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18F3NO2.C20H21NO2.2C18H18N2O2.2C16H16N2O2S/c1-3-26-19(25)18-11-15-9-13(2)7-8-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-3-26-19(25)18-11-15-8-7-13(2)9-17(15)24(18)12-14-5-4-6-16(10-14)20(21,22)23;1-4-23-20(22)19-12-17-11-15(3)8-9-18(17)21(19)13-16-7-5-6-14(2)10-16;1-3-22-18(21)17-11-15-10-13(2)4-5-16(15)20(17)12-14-6-8-19-9-7-14;1-3-22-18(21)17-11-15-5-4-13(2)10-16(15)20(17)12-14-6-8-19-9-7-14;1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15;1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h2*4-11H,3,12H2,1-2H3;5-12H,4,13H2,1-3H3;2*4-11H,3,12H2,1-2H3;2*4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate?
ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate has a molecular weight of 2219.59 g/mol, XLogP of 29.27, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate is sourced from PubChem (CID 159358671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).