2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

C130H106BrClF3N13O9S — CID 160887554

About 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (PubChem CID 160887554) has the molecular formula C130H106BrClF3N13O9S and a molecular weight of 2198.78 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• PubChem CID: 160887554
• Molecular Formula: C130H106BrClF3N13O9S
• Molecular Weight: 2198.78 g/mol
• Exact Mass: 2195.68
• IUPAC Name: 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• SMILES: CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Br)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Cl)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C24H18N2O.C23H23N3O3S.C22H20N2O2.C21H15F3N2O.C20H15BrN2O.C20H15ClN2O/c1-3-26-23(22(16-25)21-13-12-19(27-2)15-24(21)26)14-11-18-9-6-8-17-7-4-5-10-20(17)18;1-5-26-22(21(15-24)20-12-11-19(29-4)14-23(20)26)13-8-17-6-9-18(10-7-17)25-30(27,28)16(2)3;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-3-26-19(11-6-14-4-7-15(8-5-14)21(22,23)24)18(13-25)17-10-9-16(27-2)12-20(17)26;2*1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23/h4-10,12-13,15H,3H2,1-2H3;6-7,9-12,14,16,25H,5H2,1-4H3;6,8-10,12-13H,5H2,1-4H3;4-5,7-10,12H,3H2,1-2H3;2*4-7,9-10,12H,3H2,1-2H3
• InChIKey: SNVNGZFAPYHFDL-UHFFFAOYSA-N
• XLogP: 27.70
• TPSA: 283.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.78
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The IUPAC name of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (CID 160887554) is 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

What is the SMILES notation for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The canonical SMILES for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Br)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Cl)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The InChIKey is SNVNGZFAPYHFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O.C23H23N3O3S.C22H20N2O2.C21H15F3N2O.C20H15BrN2O.C20H15ClN2O/c1-3-26-23(22(16-25)21-13-12-19(27-2)15-24(21)26)14-11-18-9-6-8-17-7-4-5-10-20(17)18;1-5-26-22(21(15-24)20-12-11-19(29-4)14-23(20)26)13-8-17-6-9-18(10-7-17)25-30(27,28)16(2)3;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-3-26-19(11-6-14-4-7-15(8-5-14)21(22,23)24)18(13-25)17-10-9-16(27-2)12-20(17)26;2*1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23/h4-10,12-13,15H,3H2,1-2H3;6-7,9-12,14,16,25H,5H2,1-4H3;6,8-10,12-13H,5H2,1-4H3;4-5,7-10,12H,3H2,1-2H3;2*4-7,9-10,12H,3H2,1-2H3.

What are the key properties of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile has a molecular weight of 2198.78 g/mol, XLogP of 27.70, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 160887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).