2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate

C130H121FN16O12S — CID 157141843

About 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate (PubChem CID 157141843) has the molecular formula C130H121FN16O12S and a molecular weight of 2150.56 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate.

Molecular Properties

• Compound Name: 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
• PubChem CID: 157141843
• Molecular Formula: C130H121FN16O12S
• Molecular Weight: 2150.56 g/mol
• Exact Mass: 2148.91
• IUPAC Name: 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
• SMILES: CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cnco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(OC)cc21
• InChI: InChI=1S/C21H21N3O2.C21H18N2O.C20H17N3O.C20H20N2O2.C19H17FN2O2.C15H14N2O3.C14H14N2OS/c1-5-24-19-12-16(26-4)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)21(25)23(2)3;1-4-23-20(12-9-16-7-5-15(2)6-8-16)19(14-22)18-11-10-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(22)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)23;1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12;1-3-17-8-12(14-7-16-9-20-14)11-5-4-10(6-13(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/h6-12H,5H2,1-4H3;5-8,10-11,13H,4H2,1-3H3;4-5,7-10,12H,3,22H2,1-2H3;6-12H,4-5H2,1-3H3;5-10H,4H2,1-3H3;4-9H,3H2,1-2H3;4-9H,3H2,1-2H3
• InChIKey: AKGVQXJIQBRDEI-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 338.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.56
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate?

The IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate (CID 157141843) is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate.

What is the SMILES notation for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate?

The canonical SMILES for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate is CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cnco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(OC)cc21.

What is the InChIKey of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate?

The InChIKey is AKGVQXJIQBRDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.C21H18N2O.C20H17N3O.C20H20N2O2.C19H17FN2O2.C15H14N2O3.C14H14N2OS/c1-5-24-19-12-16(26-4)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)21(25)23(2)3;1-4-23-20(12-9-16-7-5-15(2)6-8-16)19(14-22)18-11-10-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(22)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)23;1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12;1-3-17-8-12(14-7-16-9-20-14)11-5-4-10(6-13(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/h6-12H,5H2,1-4H3;5-8,10-11,13H,4H2,1-3H3;4-5,7-10,12H,3,22H2,1-2H3;6-12H,4-5H2,1-3H3;5-10H,4H2,1-3H3;4-9H,3H2,1-2H3;4-9H,3H2,1-2H3.

What are the key properties of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate?

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate has a molecular weight of 2150.56 g/mol, XLogP of 27.54, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate is sourced from PubChem (CID 157141843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).