propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate

C135H134N28O15S — CID 157385098

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 157385098) has the molecular formula C135H134N28O15S and a molecular weight of 2420.80 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 157385098
• Molecular Formula: C135H134N28O15S
• Molecular Weight: 2420.80 g/mol
• Exact Mass: 2419.03
• IUPAC Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncncn4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C28H27N5O3.C27H26N6O3.C27H28N6O3.C27H26N4O3S.C26H27N7O3/c1-18(2)36-28(34)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(35-17-26-30-13-4-14-31-26)15-25(23)33(27)21-5-3-6-21;1-17(2)36-27(34)32-19-8-6-18(7-9-19)26-23(13-28)22-11-10-21(35-14-25-30-15-29-16-31-25)12-24(22)33(26)20-4-3-5-20;1-17(2)36-27(34)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-13-12-25-29-16-30-32-25)14-24(22)33(26)20-4-3-5-20;1-17(2)34-27(32)30-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(33-16-25-29-12-13-35-25)14-24(22)31(26)20-4-3-5-20;1-16(2)36-26(34)28-18-8-6-17(7-9-18)25-22(15-27)21-11-10-20(35-13-12-24-29-31-32-30-24)14-23(21)33(25)19-4-3-5-19/h4,7-15,18,21H,3,5-6,17H2,1-2H3,(H,32,34);6-12,15-17,20H,3-5,14H2,1-2H3,(H,32,34);6-11,14,16-17,20H,3-5,12-13H2,1-2H3,(H,31,34)(H,29,30,32);6-14,17,20H,3-5,16H2,1-2H3,(H,30,32);6-11,14,16,19H,3-5,12-13H2,1-2H3,(H,28,34)(H,29,30,31,32)
• InChIKey: BLILMRXFIGWUAL-UHFFFAOYSA-N
• XLogP: 29.35
• TPSA: 554.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.80
LogP ≤ 5	29.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 157385098) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncncn4)cc3n2C2CCC2)cc1.

What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is BLILMRXFIGWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C27H26N6O3.C27H28N6O3.C27H26N4O3S.C26H27N7O3/c1-18(2)36-28(34)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(35-17-26-30-13-4-14-31-26)15-25(23)33(27)21-5-3-6-21;1-17(2)36-27(34)32-19-8-6-18(7-9-19)26-23(13-28)22-11-10-21(35-14-25-30-15-29-16-31-25)12-24(22)33(26)20-4-3-5-20;1-17(2)36-27(34)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-13-12-25-29-16-30-32-25)14-24(22)33(26)20-4-3-5-20;1-17(2)34-27(32)30-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(33-16-25-29-12-13-35-25)14-24(22)31(26)20-4-3-5-20;1-16(2)36-26(34)28-18-8-6-17(7-9-18)25-22(15-27)21-11-10-20(35-13-12-24-29-31-32-30-24)14-23(21)33(25)19-4-3-5-19/h4,7-15,18,21H,3,5-6,17H2,1-2H3,(H,32,34);6-12,15-17,20H,3-5,14H2,1-2H3,(H,32,34);6-11,14,16-17,20H,3-5,12-13H2,1-2H3,(H,31,34)(H,29,30,32);6-14,17,20H,3-5,16H2,1-2H3,(H,30,32);6-11,14,16,19H,3-5,12-13H2,1-2H3,(H,28,34)(H,29,30,31,32).

What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2420.80 g/mol, XLogP of 29.35, 37 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157385098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).