2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

C146H115ClF3N17O12S — CID 160683608

About 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (PubChem CID 160683608) has the molecular formula C146H115ClF3N17O12S and a molecular weight of 2424.15 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• PubChem CID: 160683608
• Molecular Formula: C146H115ClF3N17O12S
• Molecular Weight: 2424.15 g/mol
• Exact Mass: 2421.83
• IUPAC Name: 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• SMILES: CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(O)cc21
• InChI: InChI=1S/C25H23N3O2.C23H19N3O2.C20H13F3N2O.C20H17N3O3S.C20H16N2O2.C19H13ClN2O.C19H14N2O/c1-2-28-23(22(16-26)21-13-12-20(29)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(30)18-5-3-4-6-18;1-2-26-21(20(14-24)19-11-10-18(27)13-22(19)26)12-5-15-3-8-17(9-4-15)25-23(28)16-6-7-16;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;1-3-23-19(18(13-21)17-10-9-16(24)12-20(17)23)11-6-14-4-7-15(8-5-14)22-27(2,25)26;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-2-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23)11-19(16)22;1-2-21-18(11-8-14-6-4-3-5-7-14)17(13-20)16-10-9-15(22)12-19(16)21/h7-8,10-13,15,18,29H,2-6H2,1H3,(H,27,30);3-4,8-11,13,16,27H,2,6-7H2,1H3,(H,25,28);3-4,6-9,11,26H,2H2,1H3;4-5,7-10,12,22,24H,3H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;3-4,6-9,11,23H,2H2,1H3;3-7,9-10,12,22H,2H2,1H3
• InChIKey: ROLVTFYVBXNGIT-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 456.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2424.15
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The IUPAC name of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (CID 160683608) is 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

What is the SMILES notation for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The canonical SMILES for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(O)cc21.

What is the InChIKey of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The InChIKey is ROLVTFYVBXNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C23H19N3O2.C20H13F3N2O.C20H17N3O3S.C20H16N2O2.C19H13ClN2O.C19H14N2O/c1-2-28-23(22(16-26)21-13-12-20(29)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(30)18-5-3-4-6-18;1-2-26-21(20(14-24)19-11-10-18(27)13-22(19)26)12-5-15-3-8-17(9-4-15)25-23(28)16-6-7-16;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;1-3-23-19(18(13-21)17-10-9-16(24)12-20(17)23)11-6-14-4-7-15(8-5-14)22-27(2,25)26;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-2-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23)11-19(16)22;1-2-21-18(11-8-14-6-4-3-5-7-14)17(13-20)16-10-9-15(22)12-19(16)21/h7-8,10-13,15,18,29H,2-6H2,1H3,(H,27,30);3-4,8-11,13,16,27H,2,6-7H2,1H3,(H,25,28);3-4,6-9,11,26H,2H2,1H3;4-5,7-10,12,22,24H,3H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;3-4,6-9,11,23H,2H2,1H3;3-7,9-10,12,22H,2H2,1H3.

What are the key properties of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile has a molecular weight of 2424.15 g/mol, XLogP of 28.00, 14 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 160683608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).