2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

C153H120ClF12N17O9S — CID 159907252

IUPAC2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H23N3O2.C24H21F3N2.C23H19N3O2.C21H15F3N2O.C20H12ClF3N2.C20H13F3N2O.C20H17N3O3S/c1-2-28-23(22(16-26)21-13-12-20(29)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(30)18-5-3-4-6-18;1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-2-26-21(20(14-24)19-11-10-18(27)13-22(19)26)12-5-15-3-8-17(9-4-15)25-23(28)16-6-7-16;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-2-26-18(9-6-13-4-3-5-15(21)10-13)17(12-25)16-8-7-14(11-19(16)26)20(22,23)24;1-2-25-18(9-6-13-4-3-5-15(26)10-13)17(12-24)16-8-7-14(11-19(16)25)20(21,22)23;1-3-23-19(18(13-21)17-10-9-16(24)12-20(17)23)11-6-14-4-7-15(8-5-14)22-27(2,25)26/h7-8,10-13,15,18,29H,2-6H2,1H3,(H,27,30);6-7,9-12,14H,5H2,1-4H3;3-4,8-11,13,16,27H,2,6-7H2,1H3,(H,25,28);4-5,7-10,12H,3H2,1-2H3;3-5,7-8,10-11H,2H2,1H3;3-5,7-8,10-11,26H,2H2,1H3;4-5,7-10,12,22,24H,3H2,1-2H3
InChIKeyNWSRLCLCAZWTRO-UHFFFAOYSA-N
MW2636.25 g/mol
LogP33.23
Rot. Bonds14

About 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 159907252) has the molecular formula C153H120ClF12N17O9S and a molecular weight of 2636.25 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
PubChem CID159907252
Molecular FormulaC153H120ClF12N17O9S
Molecular Weight2636.25 g/mol
Exact Mass2633.87
IUPAC Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H23N3O2.C24H21F3N2.C23H19N3O2.C21H15F3N2O.C20H12ClF3N2.C20H13F3N2O.C20H17N3O3S/c1-2-28-23(22(16-26)21-13-12-20(29)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(30)18-5-3-4-6-18;1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-2-26-21(20(14-24)19-11-10-18(27)13-22(19)26)12-5-15-3-8-17(9-4-15)25-23(28)16-6-7-16;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-2-26-18(9-6-13-4-3-5-15(21)10-13)17(12-25)16-8-7-14(11-19(16)26)20(22,23)24;1-2-25-18(9-6-13-4-3-5-15(26)10-13)17(12-24)16-8-7-14(11-19(16)25)20(21,22)23;1-3-23-19(18(13-21)17-10-9-16(24)12-20(17)23)11-6-14-4-7-15(8-5-14)22-27(2,25)26/h7-8,10-13,15,18,29H,2-6H2,1H3,(H,27,30);6-7,9-12,14H,5H2,1-4H3;3-4,8-11,13,16,27H,2,6-7H2,1H3,(H,25,28);4-5,7-10,12H,3H2,1-2H3;3-5,7-8,10-11H,2H2,1H3;3-5,7-8,10-11,26H,2H2,1H3;4-5,7-10,12,22,24H,3H2,1-2H3
InChIKeyNWSRLCLCAZWTRO-UHFFFAOYSA-N
XLogP33.23
TPSA395.56 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.25
LogP ≤ 533.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-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

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 157382502
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157480518
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 157618580
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157700281
2-[2-(4-Aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157823498
2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157901366
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-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;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 157973284
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157990181
N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 158199942
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]phenyl]ethanesulfonamide
CID 158289568
2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 158418916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (CID 159907252) is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is NWSRLCLCAZWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H21F3N2.C23H19N3O2.C21H15F3N2O.C20H12ClF3N2.C20H13F3N2O.C20H17N3O3S/c1-2-28-23(22(16-26)21-13-12-20(29)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(30)18-5-3-4-6-18;1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-2-26-21(20(14-24)19-11-10-18(27)13-22(19)26)12-5-15-3-8-17(9-4-15)25-23(28)16-6-7-16;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-2-26-18(9-6-13-4-3-5-15(21)10-13)17(12-25)16-8-7-14(11-19(16)26)20(22,23)24;1-2-25-18(9-6-13-4-3-5-15(26)10-13)17(12-24)16-8-7-14(11-19(16)25)20(21,22)23;1-3-23-19(18(13-21)17-10-9-16(24)12-20(17)23)11-6-14-4-7-15(8-5-14)22-27(2,25)26/h7-8,10-13,15,18,29H,2-6H2,1H3,(H,27,30);6-7,9-12,14H,5H2,1-4H3;3-4,8-11,13,16,27H,2,6-7H2,1H3,(H,25,28);4-5,7-10,12H,3H2,1-2H3;3-5,7-8,10-11H,2H2,1H3;3-5,7-8,10-11,26H,2H2,1H3;4-5,7-10,12,22,24H,3H2,1-2H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?
2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2636.25 g/mol, XLogP of 33.23, 14 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 159907252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).