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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane

C118H126Cl2F6N15NaO7 — CID 159639072

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane (PubChem CID 159639072) has the molecular formula C118H126Cl2F6N15NaO7 and a molecular weight of 2074.29 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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane.

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane
• PubChem CID: 159639072
• Molecular Formula: C118H126Cl2F6N15NaO7
• Molecular Weight: 2074.29 g/mol
• Exact Mass: 2071.91
• 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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane
• SMILES: C.C.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)C(F)(F)F)cc3)n(C3CCC3)c2c1.ClCCl.[H-].[Na+]
• InChI: InChI=1S/C25H24F3N3O2.C23H20F3N3O2.2C23H25N3O.C21H21N3O.CH2Cl2.2CH4.Na.H/c1-3-30(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;1-2-31-17-10-11-18-19(13-27)21(29(20(18)12-17)16-4-3-5-16)14-6-8-15(9-7-14)28-22(30)23(24,25)26;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;;;;/h8-14,18H,3-7H2,1-2H3;6-12,16H,2-5H2,1H3,(H,28,30);2*8-14,18,25H,3-7H2,1-2H3;6-12,16H,2-5,23H2,1H3;1H2;2*1H4;;/q;;;;;;;;+1;-1
• InChIKey: MJGGTCZZKVAHOM-UHFFFAOYSA-N
• XLogP: 28.19
• TPSA: 289.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.29
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane?

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane (CID 159639072) 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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane.

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane?

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane is C.C.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)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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane?

The InChIKey is MJGGTCZZKVAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2.C23H20F3N3O2.2C23H25N3O.C21H21N3O.CH2Cl2.2CH4.Na.H/c1-3-30(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;1-2-31-17-10-11-18-19(13-27)21(29(20(18)12-17)16-4-3-5-16)14-6-8-15(9-7-14)28-22(30)23(24,25)26;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;;;;/h8-14,18H,3-7H2,1-2H3;6-12,16H,2-5H2,1H3,(H,28,30);2*8-14,18,25H,3-7H2,1-2H3;6-12,16H,2-5,23H2,1H3;1H2;2*1H4;;/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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane?

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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane has a molecular weight of 2074.29 g/mol, XLogP of 28.19, 27 rotatable bonds, 4 hydrogen bond donors, and 20 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;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane is sourced from PubChem (CID 159639072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).