N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

C121H105F6N17O9 — CID 158692053

About N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 158692053) has the molecular formula C121H105F6N17O9 and a molecular weight of 2055.27 g/mol. Its IUPAC name is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
• PubChem CID: 158692053
• Molecular Formula: C121H105F6N17O9
• Molecular Weight: 2055.27 g/mol
• Exact Mass: 2053.82
• IUPAC Name: N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
• SMILES: CCC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(NC(C)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(C)=O)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H21N3O2.C22H18F3N3.C22H19N3O2.C21H15F3N2O.C19H17N3O2.C14H15N3O2/c1-4-23(27)25-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(28-3)14-22(19)26(21)5-2;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-4-25-21(11-8-16-6-5-7-17(12-16)24-15(2)26)20(14-23)19-10-9-18(27-3)13-22(19)25;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13;1-4-17-13-7-10(19-3)5-6-11(13)12(8-15)14(17)16-9(2)18/h6-8,10-11,13-14H,4-5H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3;5-7,9-10,12-13H,4H2,1-3H3,(H,24,26);4-6,8-9,11-12H,3H2,1-2H3;4-11H,3H2,1-2H3,(H,21,23);5-7H,4H2,1-3H3,(H,16,18)
• InChIKey: IGLZHPGWSTYLST-UHFFFAOYSA-N
• XLogP: 24.46
• TPSA: 338.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.27
LogP ≤ 5	24.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (CID 158692053) is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.

What is the SMILES notation for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The canonical SMILES for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is CCC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(NC(C)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(C)=O)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The InChIKey is IGLZHPGWSTYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C22H18F3N3.C22H19N3O2.C21H15F3N2O.C19H17N3O2.C14H15N3O2/c1-4-23(27)25-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(28-3)14-22(19)26(21)5-2;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-4-25-21(11-8-16-6-5-7-17(12-16)24-15(2)26)20(14-23)19-10-9-18(27-3)13-22(19)25;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13;1-4-17-13-7-10(19-3)5-6-11(13)12(8-15)14(17)16-9(2)18/h6-8,10-11,13-14H,4-5H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3;5-7,9-10,12-13H,4H2,1-3H3,(H,24,26);4-6,8-9,11-12H,3H2,1-2H3;4-11H,3H2,1-2H3,(H,21,23);5-7H,4H2,1-3H3,(H,16,18).

What are the key properties of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2055.27 g/mol, XLogP of 24.46, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 158692053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).