2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile

C298H253BrN44O23S3 — CID 158227152

IUPAC2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile
SMILESCCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(O)cc3n2CC)cc1.CCn1c(C#Cc2ccc(CC#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)c3cnc[nH]3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2N)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H24N4O2.C24H22BrN3O2.C24H19N5O2.C23H20N4O2.C22H20N4O2.C22H19N3O2.C22H17N3O.C21H19N3O3S.2C20H17N3O.C20H16N2O2.C19H15N3O.2C18H14N2OS/c1-3-29-23(21(16-26)20-12-11-19(31-2)15-24(20)29)13-8-17-6-9-18(10-7-17)28-25(30)22-5-4-14-27-22;1-3-28-22(21(16-26)20-12-11-19(30-2)15-23(20)28)13-8-17-6-9-18(10-7-17)27-24(29)5-4-14-25;1-3-29-22(20(13-25)19-10-9-18(31-2)12-23(19)29)11-6-16-4-7-17(8-5-16)28-24(30)21-14-26-15-27-21;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;1-3-26-20(19(13-23)18-10-9-17(28-2)12-21(18)26)11-6-15-4-7-16(8-5-15)25-22(27)14-24;1-3-22(27)24-16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(26)13-21(18)25(20)4-2;1-3-25-21(11-8-16-4-6-17(7-5-16)12-13-23)20(15-24)19-10-9-18(26-2)14-22(19)25;1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(26,27)4-2;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-23-19(11-8-14-6-4-5-7-18(14)22)17(13-21)16-10-9-15(24-2)12-20(16)23;1-3-22-19(11-6-14-4-7-15(23)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-3-20-17(7-4-13-8-9-22-12-13)16(11-19)15-6-5-14(21-2)10-18(15)20;1-3-20-17(9-7-14-5-4-10-22-14)16(12-19)15-8-6-13(21-2)11-18(15)20/h6-7,9-12,15,22,27H,3-5,14H2,1-2H3,(H,28,30);6-7,9-12,15H,3-5,14H2,1-2H3,(H,27,29);4-5,7-10,12,14-15H,3H2,1-2H3,(H,26,27)(H,28,30);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);4-5,7-10,12H,3,14,24H2,1-2H3,(H,25,27);5-6,8-11,13,26H,3-4H2,1-2H3,(H,24,27);4-7,9-10,14H,3,12H2,1-2H3;5-6,8-11,13,23,25H,3-4H2,1-2H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-7,9-10,12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;5-6,8-10,12H,3H2,1-2H3;4-6,8,10-11H,3H2,1-2H3/t22-;;;;;;;;;;;;;/m0............./s1
InChIKeyGDXWGIKMZIUIJE-GQSCRBEVSA-N
MW4994.69 g/mol
LogP52.34
Rot. Bonds43

About 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile

2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile (PubChem CID 158227152) has the molecular formula C298H253BrN44O23S3 and a molecular weight of 4994.69 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile
PubChem CID158227152
Molecular FormulaC298H253BrN44O23S3
Molecular Weight4994.69 g/mol
Exact Mass4989.83
IUPAC Name2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile
SMILESCCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(O)cc3n2CC)cc1.CCn1c(C#Cc2ccc(CC#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)c3cnc[nH]3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2N)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H24N4O2.C24H22BrN3O2.C24H19N5O2.C23H20N4O2.C22H20N4O2.C22H19N3O2.C22H17N3O.C21H19N3O3S.2C20H17N3O.C20H16N2O2.C19H15N3O.2C18H14N2OS/c1-3-29-23(21(16-26)20-12-11-19(31-2)15-24(20)29)13-8-17-6-9-18(10-7-17)28-25(30)22-5-4-14-27-22;1-3-28-22(21(16-26)20-12-11-19(30-2)15-23(20)28)13-8-17-6-9-18(10-7-17)27-24(29)5-4-14-25;1-3-29-22(20(13-25)19-10-9-18(31-2)12-23(19)29)11-6-16-4-7-17(8-5-16)28-24(30)21-14-26-15-27-21;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;1-3-26-20(19(13-23)18-10-9-17(28-2)12-21(18)26)11-6-15-4-7-16(8-5-15)25-22(27)14-24;1-3-22(27)24-16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(26)13-21(18)25(20)4-2;1-3-25-21(11-8-16-4-6-17(7-5-16)12-13-23)20(15-24)19-10-9-18(26-2)14-22(19)25;1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(26,27)4-2;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-23-19(11-8-14-6-4-5-7-18(14)22)17(13-21)16-10-9-15(24-2)12-20(16)23;1-3-22-19(11-6-14-4-7-15(23)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-3-20-17(7-4-13-8-9-22-12-13)16(11-19)15-6-5-14(21-2)10-18(15)20;1-3-20-17(9-7-14-5-4-10-22-14)16(12-19)15-8-6-13(21-2)11-18(15)20/h6-7,9-12,15,22,27H,3-5,14H2,1-2H3,(H,28,30);6-7,9-12,15H,3-5,14H2,1-2H3,(H,27,29);4-5,7-10,12,14-15H,3H2,1-2H3,(H,26,27)(H,28,30);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);4-5,7-10,12H,3,14,24H2,1-2H3,(H,25,27);5-6,8-11,13,26H,3-4H2,1-2H3,(H,24,27);4-7,9-10,14H,3,12H2,1-2H3;5-6,8-11,13,23,25H,3-4H2,1-2H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-7,9-10,12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;5-6,8-10,12H,3H2,1-2H3;4-6,8,10-11H,3H2,1-2H3/t22-;;;;;;;;;;;;;/m0............./s1
InChIKeyGDXWGIKMZIUIJE-GQSCRBEVSA-N
XLogP52.34
TPSA952.99 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds43
Heavy Atoms369
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004994.69
LogP ≤ 552.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Analyze 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile with MolForge

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What is the IUPAC name of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile?
The IUPAC name of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile (CID 158227152) is 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile.
What is the SMILES notation for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile?
The canonical SMILES for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile is CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(O)cc3n2CC)cc1.CCn1c(C#Cc2ccc(CC#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)c3cnc[nH]3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2N)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccsc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile?
The InChIKey is GDXWGIKMZIUIJE-GQSCRBEVSA-N. The full InChI is InChI=1S/C25H24N4O2.C24H22BrN3O2.C24H19N5O2.C23H20N4O2.C22H20N4O2.C22H19N3O2.C22H17N3O.C21H19N3O3S.2C20H17N3O.C20H16N2O2.C19H15N3O.2C18H14N2OS/c1-3-29-23(21(16-26)20-12-11-19(31-2)15-24(20)29)13-8-17-6-9-18(10-7-17)28-25(30)22-5-4-14-27-22;1-3-28-22(21(16-26)20-12-11-19(30-2)15-23(20)28)13-8-17-6-9-18(10-7-17)27-24(29)5-4-14-25;1-3-29-22(20(13-25)19-10-9-18(31-2)12-23(19)29)11-6-16-4-7-17(8-5-16)28-24(30)21-14-26-15-27-21;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;1-3-26-20(19(13-23)18-10-9-17(28-2)12-21(18)26)11-6-15-4-7-16(8-5-15)25-22(27)14-24;1-3-22(27)24-16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(26)13-21(18)25(20)4-2;1-3-25-21(11-8-16-4-6-17(7-5-16)12-13-23)20(15-24)19-10-9-18(26-2)14-22(19)25;1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(26,27)4-2;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-23-19(11-8-14-6-4-5-7-18(14)22)17(13-21)16-10-9-15(24-2)12-20(16)23;1-3-22-19(11-6-14-4-7-15(23)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-3-20-17(7-4-13-8-9-22-12-13)16(11-19)15-6-5-14(21-2)10-18(15)20;1-3-20-17(9-7-14-5-4-10-22-14)16(12-19)15-8-6-13(21-2)11-18(15)20/h6-7,9-12,15,22,27H,3-5,14H2,1-2H3,(H,28,30);6-7,9-12,15H,3-5,14H2,1-2H3,(H,27,29);4-5,7-10,12,14-15H,3H2,1-2H3,(H,26,27)(H,28,30);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);4-5,7-10,12H,3,14,24H2,1-2H3,(H,25,27);5-6,8-11,13,26H,3-4H2,1-2H3,(H,24,27);4-7,9-10,14H,3,12H2,1-2H3;5-6,8-11,13,23,25H,3-4H2,1-2H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-7,9-10,12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;5-6,8-10,12H,3H2,1-2H3;4-6,8,10-11H,3H2,1-2H3/t22-;;;;;;;;;;;;;/m0............./s1.
What are the key properties of 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile?
2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile has a molecular weight of 4994.69 g/mol, XLogP of 52.34, 43 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;2-[2-(2-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-bromo-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]butanamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-1H-imidazole-5-carboxamide;(2S)-N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]pyrrolidine-2-carboxamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-2-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-thiophen-3-ylethynyl)indole-3-carbonitrile is sourced from PubChem (CID 158227152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).