propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate

C175H184F6N14O21 — CID 160639903

About propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate (PubChem CID 160639903) has the molecular formula C175H184F6N14O21 and a molecular weight of 2933.46 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 160639903
• Molecular Formula: C175H184F6N14O21
• Molecular Weight: 2933.46 g/mol
• Exact Mass: 2931.37
• IUPAC Name: propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C32H36N2O4.C30H31F3N2O4.C30H31N3O4.C29H32N2O3.C27H27F3N2O3.C27H27N3O3/c1-21(2)37-32(35)33-24-11-9-23(10-12-24)31-29(14-8-22-6-7-22)28-15-13-27(38-26-16-18-36-19-17-26)20-30(28)34(31)25-4-3-5-25;1-19(2)38-29(36)34-21-8-6-20(7-9-21)28-26(12-15-30(31,32)33)25-11-10-24(39-23-13-16-37-17-14-23)18-27(25)35(28)22-4-3-5-22;1-20(2)36-30(34)32-22-10-8-21(9-11-22)29-27(7-4-16-31)26-13-12-25(37-24-14-17-35-18-15-24)19-28(26)33(29)23-5-3-6-23;1-4-33-24-15-17-25-26(16-10-20-8-9-20)28(31(27(25)18-24)23-6-5-7-23)21-11-13-22(14-12-21)30-29(32)34-19(2)3;1-4-34-21-12-13-22-23(14-15-27(28,29)30)25(32(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)31-26(33)35-17(2)3;1-4-32-22-14-15-23-24(9-6-16-28)26(30(25(23)17-22)21-7-5-8-21)19-10-12-20(13-11-19)29-27(31)33-18(2)3/h9-13,15,20-22,25-26H,3-7,16-19H2,1-2H3,(H,33,35);6-11,18-19,22-23H,3-5,13-14,16-17H2,1-2H3,(H,34,36);8-13,19-20,23-24H,3,5-6,14-15,17-18H2,1-2H3,(H,32,34);11-15,17-20,23H,4-9H2,1-3H3,(H,30,32);8-13,16-17,20H,4-7H2,1-3H3,(H,31,33);10-15,17-18,21H,4-5,7-8H2,1-3H3,(H,29,31)
• InChIKey: RJAQFEAMWSDWQJ-UHFFFAOYSA-N
• XLogP: 41.91
• TPSA: 390.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.46
LogP ≤ 5	41.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate (CID 160639903) is propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The InChIKey is RJAQFEAMWSDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O4.C30H31F3N2O4.C30H31N3O4.C29H32N2O3.C27H27F3N2O3.C27H27N3O3/c1-21(2)37-32(35)33-24-11-9-23(10-12-24)31-29(14-8-22-6-7-22)28-15-13-27(38-26-16-18-36-19-17-26)20-30(28)34(31)25-4-3-5-25;1-19(2)38-29(36)34-21-8-6-20(7-9-21)28-26(12-15-30(31,32)33)25-11-10-24(39-23-13-16-37-17-14-23)18-27(25)35(28)22-4-3-5-22;1-20(2)36-30(34)32-22-10-8-21(9-11-22)29-27(7-4-16-31)26-13-12-25(37-24-14-17-35-18-15-24)19-28(26)33(29)23-5-3-6-23;1-4-33-24-15-17-25-26(16-10-20-8-9-20)28(31(27(25)18-24)23-6-5-7-23)21-11-13-22(14-12-21)30-29(32)34-19(2)3;1-4-34-21-12-13-22-23(14-15-27(28,29)30)25(32(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)31-26(33)35-17(2)3;1-4-32-22-14-15-23-24(9-6-16-28)26(30(25(23)17-22)21-7-5-8-21)19-10-12-20(13-11-19)29-27(31)33-18(2)3/h9-13,15,20-22,25-26H,3-7,16-19H2,1-2H3,(H,33,35);6-11,18-19,22-23H,3-5,13-14,16-17H2,1-2H3,(H,34,36);8-13,19-20,23-24H,3,5-6,14-15,17-18H2,1-2H3,(H,32,34);11-15,17-20,23H,4-9H2,1-3H3,(H,30,32);8-13,16-17,20H,4-7H2,1-3H3,(H,31,33);10-15,17-18,21H,4-5,7-8H2,1-3H3,(H,29,31).

What are the key properties of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2933.46 g/mol, XLogP of 41.91, 36 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 160639903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).