4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate

C140H131FN22O16 — CID 157122863

About 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate

4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate (PubChem CID 157122863) has the molecular formula C140H131FN22O16 and a molecular weight of 2396.72 g/mol. Its IUPAC name is 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate.

Molecular Properties

• Compound Name: 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate
• PubChem CID: 157122863
• Molecular Formula: C140H131FN22O16
• Molecular Weight: 2396.72 g/mol
• Exact Mass: 2395.01
• IUPAC Name: 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate
• SMILES: CCC1C(NC(=O)c2cccc(F)c2)=C(C#N)c2ccc(OC)cc21.CCNC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2cccc(NC(=O)COC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)C2CC2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)OCC(C)C)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccc(C#N)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H22N4O2.C23H21N3O3.C21H17N3O2.C20H17FN2O2.C20H16N4O2.C17H21N3O3.C16H17N3O2/c1-4-25-23(28)26-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(29-3)14-22(19)27(21)5-2;1-4-26-21(20(14-24)19-10-9-18(29-3)13-22(19)26)11-8-16-6-5-7-17(12-16)25-23(27)15-28-2;1-3-24-20(10-7-15-5-4-6-16(11-15)23-14-25)19(13-22)18-9-8-17(26-2)12-21(18)24;1-3-15-17-10-14(25-2)7-8-16(17)18(11-22)19(15)23-20(24)12-5-4-6-13(21)9-12;1-3-24-18-10-15(26-2)8-9-16(18)17(12-22)19(24)23-20(25)14-6-4-13(11-21)5-7-14;1-5-20-15-8-12(22-4)6-7-13(15)14(9-18)16(20)19-17(21)23-10-11(2)3;1-3-19-14-8-11(21-2)6-7-12(14)13(9-17)15(19)18-16(20)10-4-5-10/h6-8,10-11,13-14H,4-5H2,1-3H3,(H2,25,26,28);5-7,9-10,12-13H,4,15H2,1-3H3,(H,25,27);4-6,8-9,11-12,14H,3H2,1-2H3,(H,23,25);4-10,15H,3H2,1-2H3,(H,23,24);4-10H,3H2,1-2H3,(H,23,25);6-8,11H,5,10H2,1-4H3,(H,19,21);6-8,10H,3-5H2,1-2H3,(H,18,20)
• InChIKey: AIEHMBPYHRMIKK-UHFFFAOYSA-N
• XLogP: 25.43
• TPSA: 518.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2396.72
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate?

The IUPAC name of 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate (CID 157122863) is 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate.

What is the SMILES notation for 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate?

The canonical SMILES for 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate is CCC1C(NC(=O)c2cccc(F)c2)=C(C#N)c2ccc(OC)cc21.CCNC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2cccc(NC(=O)COC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)C2CC2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)OCC(C)C)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccc(C#N)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate?

The InChIKey is AIEHMBPYHRMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.C23H21N3O3.C21H17N3O2.C20H17FN2O2.C20H16N4O2.C17H21N3O3.C16H17N3O2/c1-4-25-23(28)26-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(29-3)14-22(19)27(21)5-2;1-4-26-21(20(14-24)19-10-9-18(29-3)13-22(19)26)11-8-16-6-5-7-17(12-16)25-23(27)15-28-2;1-3-24-20(10-7-15-5-4-6-16(11-15)23-14-25)19(13-22)18-9-8-17(26-2)12-21(18)24;1-3-15-17-10-14(25-2)7-8-16(17)18(11-22)19(15)23-20(24)12-5-4-6-13(21)9-12;1-3-24-18-10-15(26-2)8-9-16(18)17(12-22)19(24)23-20(25)14-6-4-13(11-21)5-7-14;1-5-20-15-8-12(22-4)6-7-13(15)14(9-18)16(20)19-17(21)23-10-11(2)3;1-3-19-14-8-11(21-2)6-7-12(14)13(9-17)15(19)18-16(20)10-4-5-10/h6-8,10-11,13-14H,4-5H2,1-3H3,(H2,25,26,28);5-7,9-10,12-13H,4,15H2,1-3H3,(H,25,27);4-6,8-9,11-12,14H,3H2,1-2H3,(H,23,25);4-10,15H,3H2,1-2H3,(H,23,24);4-10H,3H2,1-2H3,(H,23,25);6-8,11H,5,10H2,1-4H3,(H,19,21);6-8,10H,3-5H2,1-2H3,(H,18,20).

What are the key properties of 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate?

4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate has a molecular weight of 2396.72 g/mol, XLogP of 25.43, 30 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)-3-fluorobenzamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclopropanecarboxamide;1-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-3-ethylurea;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-methylpropyl N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)carbamate is sourced from PubChem (CID 157122863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).