2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile

C244H214Cl2N28O14S2 — CID 159332478

IUPAC2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6-7,9-12,14H,5H2,1-4H3;6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3
InChIKeyLFCZKXLSEMQFDN-UHFFFAOYSA-N
MW3897.62 g/mol
LogP51.62
Rot. Bonds31

About 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile

2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile (PubChem CID 159332478) has the molecular formula C244H214Cl2N28O14S2 and a molecular weight of 3897.62 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
PubChem CID159332478
Molecular FormulaC244H214Cl2N28O14S2
Molecular Weight3897.62 g/mol
Exact Mass3893.57
IUPAC Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6-7,9-12,14H,5H2,1-4H3;6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3
InChIKeyLFCZKXLSEMQFDN-UHFFFAOYSA-N
XLogP51.62
TPSA523.99 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003897.62
LogP ≤ 551.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162014345
CID 162014345
5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)
CID 157438927
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
CID 157602287
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;1-(4-ethylphenyl)-2-(3-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;bis(6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile);6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 159142737
2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 159766718
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
CID 159958466
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 160146087
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 161208587
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 162050682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile (CID 159332478) is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile is CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The InChIKey is LFCZKXLSEMQFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6-7,9-12,14H,5H2,1-4H3;6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile has a molecular weight of 3897.62 g/mol, XLogP of 51.62, 31 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile is sourced from PubChem (CID 159332478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).