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;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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

C154H138Cl2N16O8 — CID 158965139

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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O/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;1-5-25-21(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;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(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/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;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
InChIKeyJNCLGUIWKBKLQY-UHFFFAOYSA-N
MW2411.81 g/mol
LogP31.96
Rot. Bonds18

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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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

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;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 (PubChem CID 158965139) has the molecular formula C154H138Cl2N16O8 and a molecular weight of 2411.81 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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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.

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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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
PubChem CID158965139
Molecular FormulaC154H138Cl2N16O8
Molecular Weight2411.81 g/mol
Exact Mass2409.03
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O/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;1-5-25-21(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;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(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/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;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
InChIKeyJNCLGUIWKBKLQY-UHFFFAOYSA-N
XLogP31.96
TPSA281.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002411.81
LogP ≤ 531.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 157917013
2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 158591122
propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
CID 158876079
2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 159967220
2-(4-Aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 160634767
2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 161327932
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;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile
CID 157484795
2-[2-(4-aminophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile
CID 157515769
1-Ethyl-2-[2-(4-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile
CID 157570123
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
2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile
CID 157683126
2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]-N-methylethanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile
CID 157839014

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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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?
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 158965139) 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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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.
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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?
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 is CCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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?
The InChIKey is JNCLGUIWKBKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C22H20N2O2.C21H18N2O.2C20H15ClN2O/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;1-5-25-21(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;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(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/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;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.
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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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?
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;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 has a molecular weight of 2411.81 g/mol, XLogP of 31.96, 18 rotatable bonds, 0 hydrogen bond donors, and 24 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;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-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 is sourced from PubChem (CID 158965139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).