2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

C115H107FN14O15S2 — CID 158740475

About 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 158740475) has the molecular formula C115H107FN14O15S2 and a molecular weight of 2008.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• PubChem CID: 158740475
• Molecular Formula: C115H107FN14O15S2
• Molecular Weight: 2008.34 g/mol
• Exact Mass: 2006.75
• IUPAC Name: 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• SMILES: CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.CCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cnco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2ncco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(OC)cc21.COc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1
• InChI: InChI=1S/C19H17FN2O2.C19H18N2O2.C18H16N2O2.2C15H14N2O3.C15H14N2O2S.C14H14N2OS/c1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12;1-4-23-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(22-3)11-18(16)21(19)2;1-20-17-10-14(22-3)8-9-15(17)16(11-19)18(20)12-4-6-13(21-2)7-5-12;1-3-17-8-12(14-7-16-9-20-14)11-5-4-10(6-13(11)17)15(18)19-2;2*1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2;1-3-16-9-12(14-15-6-7-18-14)11-5-4-10(17-2)8-13(11)16/h5-10H,4H2,1-3H3;5-11H,4H2,1-3H3;4-10H,1-3H3;3*4-9H,3H2,1-2H3;4-9H,3H2,1-2H3
• InChIKey: IMFRJOQUEJJNOH-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 327.23 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.34
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The IUPAC name of 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (CID 158740475) is 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.

What is the SMILES notation for 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The canonical SMILES for 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.CCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cnco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2ncco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(OC)cc21.COc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.

What is the InChIKey of 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The InChIKey is IMFRJOQUEJJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2.C19H18N2O2.C18H16N2O2.2C15H14N2O3.C15H14N2O2S.C14H14N2OS/c1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12;1-4-23-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(22-3)11-18(16)21(19)2;1-20-17-10-14(22-3)8-9-15(17)16(11-19)18(20)12-4-6-13(21-2)7-5-12;1-3-17-8-12(14-7-16-9-20-14)11-5-4-10(6-13(11)17)15(18)19-2;2*1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2;1-3-16-9-12(14-15-6-7-18-14)11-5-4-10(17-2)8-13(11)16/h5-10H,4H2,1-3H3;5-11H,4H2,1-3H3;4-10H,1-3H3;3*4-9H,3H2,1-2H3;4-9H,3H2,1-2H3.

What are the key properties of 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 2008.34 g/mol, XLogP of 25.78, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 158740475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).