1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate

C176H198N26O18 — CID 157155761

About 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate

1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate (PubChem CID 157155761) has the molecular formula C176H198N26O18 and a molecular weight of 2965.68 g/mol. Its IUPAC name is 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
• PubChem CID: 157155761
• Molecular Formula: C176H198N26O18
• Molecular Weight: 2965.68 g/mol
• Exact Mass: 2963.54
• IUPAC Name: 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)N(CC)c1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OCC)cc21.N#Cc1c(-c2ccc(NC(=O)OCC3CCC3)cc2)n(C2CCC2)c2cc(OCCCCN3CCCC3)ccc12
• InChI: InChI=1S/C33H40N4O3.C30H36N4O4.C29H31N5O3.C29H30N4O2.C28H30N6O3.C27H31N3O3/c34-22-30-29-16-15-28(39-20-4-3-19-36-17-1-2-18-36)21-31(29)37(27-9-6-10-27)32(30)25-11-13-26(14-12-25)35-33(38)40-23-24-7-5-8-24;1-21(2)38-30(35)32-23-9-7-22(8-10-23)29-27(20-31)26-12-11-25(19-28(26)34(29)24-5-3-6-24)37-16-4-13-33-14-17-36-18-15-33;1-20(2)37-29(35)32-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(17-27(25)34(28)23-5-3-6-23)36-16-4-14-33-15-13-31-19-33;1-3-18-33-27-19-24(35-4-2)14-15-25(27)26(20-30)28(33)22-10-12-23(13-11-22)32-29(34)31-17-16-21-8-6-5-7-9-21;1-19(2)37-28(35)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(15-26(24)34(27)22-5-3-6-22)36-14-4-13-33-18-30-17-31-33;1-4-16-33-27(31)29(5-2)20-12-10-19(11-13-20)26-24(18-28)23-15-14-22(32-6-3)17-25(23)30(26)21-8-7-9-21/h11-16,21,24,27H,1-10,17-20,23H2,(H,35,38);7-12,19,21,24H,3-6,13-18H2,1-2H3,(H,32,35);7-13,15,17,19-20,23H,3-6,14,16H2,1-2H3,(H,32,35);5-15,19H,3-4,16-18H2,1-2H3,(H2,31,32,34);7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H,32,35);10-15,17,21H,4-9,16H2,1-3H3
• InChIKey: ALUBMRKMWXOSBP-UHFFFAOYSA-N
• XLogP: 38.95
• TPSA: 515.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 55
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2965.68
LogP ≤ 5	38.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The IUPAC name of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate (CID 157155761) is 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate.

What is the SMILES notation for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The canonical SMILES for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)N(CC)c1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OCC)cc21.N#Cc1c(-c2ccc(NC(=O)OCC3CCC3)cc2)n(C2CCC2)c2cc(OCCCCN3CCCC3)ccc12.

What is the InChIKey of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The InChIKey is ALUBMRKMWXOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O3.C30H36N4O4.C29H31N5O3.C29H30N4O2.C28H30N6O3.C27H31N3O3/c34-22-30-29-16-15-28(39-20-4-3-19-36-17-1-2-18-36)21-31(29)37(27-9-6-10-27)32(30)25-11-13-26(14-12-25)35-33(38)40-23-24-7-5-8-24;1-21(2)38-30(35)32-23-9-7-22(8-10-23)29-27(20-31)26-12-11-25(19-28(26)34(29)24-5-3-6-24)37-16-4-13-33-14-17-36-18-15-33;1-20(2)37-29(35)32-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(17-27(25)34(28)23-5-3-6-23)36-16-4-14-33-15-13-31-19-33;1-3-18-33-27-19-24(35-4-2)14-15-25(27)26(20-30)28(33)22-10-12-23(13-11-22)32-29(34)31-17-16-21-8-6-5-7-9-21;1-19(2)37-28(35)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(15-26(24)34(27)22-5-3-6-22)36-14-4-13-33-18-30-17-31-33;1-4-16-33-27(31)29(5-2)20-12-10-19(11-13-20)26-24(18-28)23-15-14-22(32-6-3)17-25(23)30(26)21-8-7-9-21/h11-16,21,24,27H,1-10,17-20,23H2,(H,35,38);7-12,19,21,24H,3-6,13-18H2,1-2H3,(H,32,35);7-13,15,17,19-20,23H,3-6,14,16H2,1-2H3,(H,32,35);5-15,19H,3-4,16-18H2,1-2H3,(H2,31,32,34);7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H,32,35);10-15,17,21H,4-9,16H2,1-3H3.

What are the key properties of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate has a molecular weight of 2965.68 g/mol, XLogP of 38.95, 55 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 157155761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).