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

C113H121N23O12 — CID 160819636

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

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 160819636) has the molecular formula C113H121N23O12 and a molecular weight of 1993.36 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 160819636
• Molecular Formula: C113H121N23O12
• Molecular Weight: 1993.36 g/mol
• Exact Mass: 1991.96
• IUPAC Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/2C29H31N5O3.C28H30N6O3.C27H29N7O3/c1-20(2)37-29(35)32-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)34(28)23-6-3-7-23)36-17-5-16-33-15-4-14-31-33;1-19(2)37-29(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)36-16-4-7-27-31-14-15-32-27;1-18(2)37-28(35)32-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)34(27)21-5-3-6-21)36-14-4-7-26-30-17-31-33-26;1-17(2)37-27(35)29-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)34(26)20-5-3-6-20)36-14-4-7-25-30-32-33-31-25/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H,32,35);8-15,17,19,22H,3-7,16H2,1-2H3,(H,31,32)(H,33,35);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,32,35)(H,30,31,33);8-13,15,17,20H,3-7,14H2,1-2H3,(H,29,35)(H,30,31,32,33)
• InChIKey: SFJCUKLBOVNDQU-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 447.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.36
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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

The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 160819636) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.

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

The InChIKey is SFJCUKLBOVNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N5O3.C28H30N6O3.C27H29N7O3/c1-20(2)37-29(35)32-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)34(28)23-6-3-7-23)36-17-5-16-33-15-4-14-31-33;1-19(2)37-29(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)36-16-4-7-27-31-14-15-32-27;1-18(2)37-28(35)32-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)34(27)21-5-3-6-21)36-14-4-7-26-30-17-31-33-26;1-17(2)37-27(35)29-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)34(26)20-5-3-6-20)36-14-4-7-25-30-32-33-31-25/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H,32,35);8-15,17,19,22H,3-7,16H2,1-2H3,(H,31,32)(H,33,35);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,32,35)(H,30,31,33);8-13,15,17,20H,3-7,14H2,1-2H3,(H,29,35)(H,30,31,32,33).

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

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 1993.36 g/mol, XLogP of 24.50, 36 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 160819636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).