3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate

C132H138N30O14 — CID 162107098

About 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate

3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 162107098) has the molecular formula C132H138N30O14 and a molecular weight of 2368.75 g/mol. Its IUPAC name is 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 162107098
• Molecular Formula: C132H138N30O14
• Molecular Weight: 2368.75 g/mol
• Exact Mass: 2367.10
• IUPAC Name: 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(N)=O)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1
• InChI: InChI=1S/C29H31N5O3.C27H28N6O3.2C26H27N7O3.C24H25N5O2/c1-20(2)37-29(35)32-23-9-7-22(8-10-23)28-26(18-30)25-12-11-24(17-27(25)34(28)19-21-5-6-21)36-16-4-15-33-14-3-13-31-33;1-17(2)36-27(34)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-12-11-25-29-16-30-32-25)13-24(22)33(26)15-18-3-4-18;1-17(2)36-26(34)30-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(35-12-11-33-29-16-28-31-33)13-24(22)32(25)15-18-3-4-18;1-16(2)36-26(34)28-19-7-5-18(6-8-19)25-22(14-27)21-10-9-20(35-12-11-24-29-31-32-30-24)13-23(21)33(25)15-17-3-4-17;1-14(2)27-24(31)28-17-9-6-15(7-10-17)22-20(13-25)19-11-8-16(23(26)30)12-21(19)29(22)18-4-3-5-18/h3,7-14,17,20-21H,4-6,15-16,19H2,1-2H3,(H,32,35);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,31,34)(H,29,30,32);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,30,34);5-10,13,16-17H,3-4,11-12,15H2,1-2H3,(H,28,34)(H,29,30,31,32);6-12,14,18H,3-5H2,1-2H3,(H2,26,30)(H2,27,28,31)
• InChIKey: ZFQPNVPPPDCKFW-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 575.51 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.75
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

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 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 162107098) is 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(N)=O)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.

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

The InChIKey is ZFQPNVPPPDCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3.C27H28N6O3.2C26H27N7O3.C24H25N5O2/c1-20(2)37-29(35)32-23-9-7-22(8-10-23)28-26(18-30)25-12-11-24(17-27(25)34(28)19-21-5-6-21)36-16-4-15-33-14-3-13-31-33;1-17(2)36-27(34)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-12-11-25-29-16-30-32-25)13-24(22)33(26)15-18-3-4-18;1-17(2)36-26(34)30-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(35-12-11-33-29-16-28-31-33)13-24(22)32(25)15-18-3-4-18;1-16(2)36-26(34)28-19-7-5-18(6-8-19)25-22(14-27)21-10-9-20(35-12-11-24-29-31-32-30-24)13-23(21)33(25)15-17-3-4-17;1-14(2)27-24(31)28-17-9-6-15(7-10-17)22-20(13-25)19-11-8-16(23(26)30)12-21(19)29(22)18-4-3-5-18/h3,7-14,17,20-21H,4-6,15-16,19H2,1-2H3,(H,32,35);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,31,34)(H,29,30,32);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,30,34);5-10,13,16-17H,3-4,11-12,15H2,1-2H3,(H,28,34)(H,29,30,31,32);6-12,14,18H,3-5H2,1-2H3,(H2,26,30)(H2,27,28,31).

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

3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2368.75 g/mol, XLogP of 25.33, 42 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 162107098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).