sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

C118H122Cl2F6N15NaO8 — CID 159529508

About sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 159529508) has the molecular formula C118H122Cl2F6N15NaO8 and a molecular weight of 2086.25 g/mol. Its IUPAC name is sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 159529508
• Molecular Formula: C118H122Cl2F6N15NaO8
• Molecular Weight: 2086.25 g/mol
• Exact Mass: 2083.88
• IUPAC Name: sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
• SMILES: CCNc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCNc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(N(CC)C(=O)C(F)(F)F)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(F)(F)F)cc3)n(C3CCC3)c2c1.ClCCl.[H-].[Na+]
• InChI: InChI=1S/C25H24F3N3O3.C25H24F3N3O2.2C23H25N3O.C21H21N3O.CH2Cl2.Na.H/c1-3-33-19-11-12-20-21(14-29)23(31(22(20)13-19)18-5-4-6-18)16-7-9-17(10-8-16)30-24(32)34-15(2)25(26,27)28;1-3-30(24(32)25(26,27)28)17-10-8-16(9-11-17)23-21(15-29)20-13-12-19(33-4-2)14-22(20)31(23)18-6-5-7-18;2*1-3-25-17-10-8-16(9-11-17)23-21(15-24)20-13-12-19(27-4-2)14-22(20)26(23)18-6-5-7-18;1-2-25-17-10-11-18-19(13-22)21(14-6-8-15(23)9-7-14)24(20(18)12-17)16-4-3-5-16;2-1-3;;/h7-13,15,18H,3-6H2,1-2H3,(H,30,32);8-14,18H,3-7H2,1-2H3;2*8-14,18,25H,3-7H2,1-2H3;6-12,16H,2-5,23H2,1H3;1H2;;/q;;;;;;+1;-1
• InChIKey: WJTIUJNOEDTROQ-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 298.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.25
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 159529508) is sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is CCNc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCNc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(N(CC)C(=O)C(F)(F)F)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(F)(F)F)cc3)n(C3CCC3)c2c1.ClCCl.[H-].[Na+].

What is the InChIKey of sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The InChIKey is WJTIUJNOEDTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3.C25H24F3N3O2.2C23H25N3O.C21H21N3O.CH2Cl2.Na.H/c1-3-33-19-11-12-20-21(14-29)23(31(22(20)13-19)18-5-4-6-18)16-7-9-17(10-8-16)30-24(32)34-15(2)25(26,27)28;1-3-30(24(32)25(26,27)28)17-10-8-16(9-11-17)23-21(15-29)20-13-12-19(33-4-2)14-22(20)31(23)18-6-5-7-18;2*1-3-25-17-10-8-16(9-11-17)23-21(15-24)20-13-12-19(27-4-2)14-22(20)26(23)18-6-5-7-18;1-2-25-17-10-11-18-19(13-22)21(14-6-8-15(23)9-7-14)24(20(18)12-17)16-4-3-5-16;2-1-3;;/h7-13,15,18H,3-6H2,1-2H3,(H,30,32);8-14,18H,3-7H2,1-2H3;2*8-14,18,25H,3-7H2,1-2H3;6-12,16H,2-5,23H2,1H3;1H2;;/q;;;;;;+1;-1.

What are the key properties of sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2086.25 g/mol, XLogP of 27.92, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159529508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).