1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate

C138H152N28O13 — CID 158511207

About 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate

1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate (PubChem CID 158511207) has the molecular formula C138H152N28O13 and a molecular weight of 2410.92 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate
• PubChem CID: 158511207
• Molecular Formula: C138H152N28O13
• Molecular Weight: 2410.92 g/mol
• Exact Mass: 2409.21
• IUPAC Name: 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C29H32N6O2.C29H31N5O3.C28H31N7O2.C27H30N8O2.C25H28N2O4/c1-20(2)32-29(36)33-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)35(28)23-6-3-7-23)37-17-5-16-34-15-4-14-31-34;1-19(2)32-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-15-4-7-27-31-14-16-37-27;1-18(2)32-28(36)33-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)35(27)21-5-3-6-21)37-14-4-7-26-30-17-31-34-26;1-17(2)29-27(36)30-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)35(26)20-5-3-6-20)37-14-4-7-25-31-33-34-32-25;1-4-30-20-12-13-21-22(15-28)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-25(29)31-16(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H2,32,33,36);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H2,32,33,35);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,30,31,34)(H2,32,33,36);8-13,15,17,20H,3-7,14H2,1-2H3,(H2,29,30,36)(H,31,32,33,34);8-16,19H,4-7H2,1-3H3,(H,26,29)
• InChIKey: HLBQMAJZSOYLGC-UHFFFAOYSA-N
• XLogP: 29.26
• TPSA: 525.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 43
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.92
LogP ≤ 5	29.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate?

The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate (CID 158511207) is 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate?

The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate?

The InChIKey is HLBQMAJZSOYLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C29H31N5O3.C28H31N7O2.C27H30N8O2.C25H28N2O4/c1-20(2)32-29(36)33-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)35(28)23-6-3-7-23)37-17-5-16-34-15-4-14-31-34;1-19(2)32-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-15-4-7-27-31-14-16-37-27;1-18(2)32-28(36)33-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)35(27)21-5-3-6-21)37-14-4-7-26-30-17-31-34-26;1-17(2)29-27(36)30-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)35(26)20-5-3-6-20)37-14-4-7-25-31-33-34-32-25;1-4-30-20-12-13-21-22(15-28)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-25(29)31-16(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H2,32,33,36);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H2,32,33,35);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,30,31,34)(H2,32,33,36);8-13,15,17,20H,3-7,14H2,1-2H3,(H2,29,30,36)(H,31,32,33,34);8-16,19H,4-7H2,1-3H3,(H,26,29).

What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate?

1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate has a molecular weight of 2410.92 g/mol, XLogP of 29.26, 43 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158511207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).