2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile

C136H119BrN22O13S — CID 162087109

About 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile

2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile (PubChem CID 162087109) has the molecular formula C136H119BrN22O13S and a molecular weight of 2381.56 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
• PubChem CID: 162087109
• Molecular Formula: C136H119BrN22O13S
• Molecular Weight: 2381.56 g/mol
• Exact Mass: 2378.82
• IUPAC Name: 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
• SMILES: CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(O)cc3n2CC)cc1.CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)c3cnc[nH]3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21
• InChI: InChI=1S/C24H22BrN3O2.C24H19N5O2.C23H20N4O2.C22H20N4O2.C22H19N3O2.C21H19N3O3S/c1-3-28-22(21(16-26)20-12-11-19(30-2)15-23(20)28)13-8-17-6-9-18(10-7-17)27-24(29)5-4-14-25;1-3-29-22(20(13-25)19-10-9-18(31-2)12-23(19)29)11-6-16-4-7-17(8-5-16)28-24(30)21-14-26-15-27-21;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;1-3-26-20(19(13-23)18-10-9-17(28-2)12-21(18)26)11-6-15-4-7-16(8-5-15)25-22(27)14-24;1-3-22(27)24-16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(26)13-21(18)25(20)4-2;1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(26,27)4-2/h6-7,9-12,15H,3-5,14H2,1-2H3,(H,27,29);4-5,7-10,12,14-15H,3H2,1-2H3,(H,26,27)(H,28,30);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);4-5,7-10,12H,3,14,24H2,1-2H3,(H,25,27);5-6,8-11,13,26H,3-4H2,1-2H3,(H,24,27);5-6,8-11,13,23,25H,3-4H2,1-2H3
• InChIKey: ZDCOFGVBXTZTCP-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 499.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2381.56
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?

The IUPAC name of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile (CID 162087109) is 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile.

What is the SMILES notation for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?

The canonical SMILES for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile is CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(O)cc3n2CC)cc1.CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)c3cnc[nH]3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.

What is the InChIKey of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?

The InChIKey is ZDCOFGVBXTZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2.C24H19N5O2.C23H20N4O2.C22H20N4O2.C22H19N3O2.C21H19N3O3S/c1-3-28-22(21(16-26)20-12-11-19(30-2)15-23(20)28)13-8-17-6-9-18(10-7-17)27-24(29)5-4-14-25;1-3-29-22(20(13-25)19-10-9-18(31-2)12-23(19)29)11-6-16-4-7-17(8-5-16)28-24(30)21-14-26-15-27-21;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;1-3-26-20(19(13-23)18-10-9-17(28-2)12-21(18)26)11-6-15-4-7-16(8-5-15)25-22(27)14-24;1-3-22(27)24-16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(26)13-21(18)25(20)4-2;1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(26,27)4-2/h6-7,9-12,15H,3-5,14H2,1-2H3,(H,27,29);4-5,7-10,12,14-15H,3H2,1-2H3,(H,26,27)(H,28,30);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);4-5,7-10,12H,3,14,24H2,1-2H3,(H,25,27);5-6,8-11,13,26H,3-4H2,1-2H3,(H,24,27);5-6,8-11,13,23,25H,3-4H2,1-2H3.

What are the key properties of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?

2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile has a molecular weight of 2381.56 g/mol, XLogP of 22.67, 24 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 162087109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).