1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate

C132H145N15O17 — CID 158915489

About 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate

1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate (PubChem CID 158915489) has the molecular formula C132H145N15O17 and a molecular weight of 2213.70 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate
• PubChem CID: 158915489
• Molecular Formula: C132H145N15O17
• Molecular Weight: 2213.70 g/mol
• Exact Mass: 2212.09
• IUPAC Name: 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1
• InChI: InChI=1S/C29H31N3O5.C27H29N3O3.C26H28N4O2.C25H29N3O3.C25H28N2O4/c1-18(19-5-6-19)37-29(33)31-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(36-17-27-34-13-14-35-27)15-26(24)32(28)22-3-2-4-22;1-3-32-22-13-14-23-24(16-28)26(30(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-16(2)28-26(31)29-18-8-6-17(7-9-18)25-23(15-27)22-13-12-21(32-20-10-11-20)14-24(22)30(25)19-4-3-5-19;1-4-31-20-11-12-21-22(15-29)24(28(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)27-25(30)26-16(2)3;1-4-30-20-11-12-21-22(15-28)24(27(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)26-25(29)31-16(2)3/h7-12,15,18-19,22,27H,2-6,13-14,17H2,1H3,(H,31,33);9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);6-9,12-14,16,19-20H,3-5,10-11H2,1-2H3,(H2,28,29,31);7-13,15-17H,4-6,14H2,1-3H3,(H2,26,27,30);7-13,15-17H,4-6,14H2,1-3H3,(H,26,29)/t;17-;;;/m.1.../s1
• InChIKey: JHEGXXAVRJNVIR-DOKKIWBJSA-N
• XLogP: 29.98
• TPSA: 392.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2213.70
LogP ≤ 5	29.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate?

The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate (CID 158915489) is 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.

What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate?

The InChIKey is JHEGXXAVRJNVIR-DOKKIWBJSA-N. The full InChI is InChI=1S/C29H31N3O5.C27H29N3O3.C26H28N4O2.C25H29N3O3.C25H28N2O4/c1-18(19-5-6-19)37-29(33)31-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(36-17-27-34-13-14-35-27)15-26(24)32(28)22-3-2-4-22;1-3-32-22-13-14-23-24(16-28)26(30(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-16(2)28-26(31)29-18-8-6-17(7-9-18)25-23(15-27)22-13-12-21(32-20-10-11-20)14-24(22)30(25)19-4-3-5-19;1-4-31-20-11-12-21-22(15-29)24(28(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)27-25(30)26-16(2)3;1-4-30-20-11-12-21-22(15-28)24(27(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)26-25(29)31-16(2)3/h7-12,15,18-19,22,27H,2-6,13-14,17H2,1H3,(H,31,33);9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);6-9,12-14,16,19-20H,3-5,10-11H2,1-2H3,(H2,28,29,31);7-13,15-17H,4-6,14H2,1-3H3,(H2,26,27,30);7-13,15-17H,4-6,14H2,1-3H3,(H,26,29)/t;17-;;;/m.1.../s1.

What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate?

1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate has a molecular weight of 2213.70 g/mol, XLogP of 29.98, 37 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158915489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).