2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

C150H127F6N21O8 — CID 161359948

About 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (PubChem CID 161359948) has the molecular formula C150H127F6N21O8 and a molecular weight of 2465.79 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 161359948
• Molecular Formula: C150H127F6N21O8
• Molecular Weight: 2465.79 g/mol
• Exact Mass: 2464.01
• IUPAC Name: 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• SMILES: CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21
• InChI: InChI=1S/C32H25N5O.C26H20F3N3O2.2C24H21N3O.C22H20F3N3O2.C22H20N4O/c1-3-37-29-19-24(38-2)17-18-25(29)27(20-33)30(37)21-13-15-23(16-14-21)34-32-26-11-7-8-12-28(26)35-31(36-32)22-9-5-4-6-10-22;1-2-32-23-14-19(26(27,28)29)10-13-21(23)22(15-30)24(32)18-8-11-20(12-9-18)31-25(33)34-16-17-6-4-3-5-7-17;1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18;1-3-27-23-12-9-18(17-5-4-6-20(13-17)28-2)14-21(23)22(15-25)24(27)16-7-10-19(26)11-8-16;1-4-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)14-5-8-16(9-6-14)27-21(29)30-13(2)3;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23/h4-19H,3H2,1-2H3,(H,34,35,36);3-14H,2,16H2,1H3,(H,31,33);2*4-14H,3,26H2,1-2H3;5-11,13H,4H2,1-3H3,(H,27,29);5-11,13,25H,4H2,1-3H3/b;;;;;15-11+
• InChIKey: VPAUCWPCHLSNDB-RTJDJWQGSA-N
• XLogP: 36.67
• TPSA: 411.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.79
LogP ≤ 5	36.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (CID 161359948) is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.

What is the InChIKey of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The InChIKey is VPAUCWPCHLSNDB-RTJDJWQGSA-N. The full InChI is InChI=1S/C32H25N5O.C26H20F3N3O2.2C24H21N3O.C22H20F3N3O2.C22H20N4O/c1-3-37-29-19-24(38-2)17-18-25(29)27(20-33)30(37)21-13-15-23(16-14-21)34-32-26-11-7-8-12-28(26)35-31(36-32)22-9-5-4-6-10-22;1-2-32-23-14-19(26(27,28)29)10-13-21(23)22(15-30)24(32)18-8-11-20(12-9-18)31-25(33)34-16-17-6-4-3-5-7-17;1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18;1-3-27-23-12-9-18(17-5-4-6-20(13-17)28-2)14-21(23)22(15-25)24(27)16-7-10-19(26)11-8-16;1-4-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)14-5-8-16(9-6-14)27-21(29)30-13(2)3;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23/h4-19H,3H2,1-2H3,(H,34,35,36);3-14H,2,16H2,1H3,(H,31,33);2*4-14H,3,26H2,1-2H3;5-11,13H,4H2,1-3H3,(H,27,29);5-11,13,25H,4H2,1-3H3/b;;;;;15-11+.

What are the key properties of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2465.79 g/mol, XLogP of 36.67, 28 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 161359948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).