2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate

C239H198F2N32O19S — CID 158325925

IUPAC2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
SMILESCCCOC(=O)Nc1ccc2c(C#N)cn(-c3ccc(OC)cc3)c2c1.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(COc2ccccc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(NC(=O)NC(C)(C)C)cc32)cc1.COc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2C)cc1.COc1ccc2c(C#N)c(-c3cccc(C)c3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(C)cc3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C25H19N3O2S.C21H22N4O2.C21H17N3O2.C20H16N4O.C20H19N3O3.C20H15N3O.C20H16N2O2.C20H16N2O.C19H13FN2O.C19H18N2O2.C18H16N2O.C16H11FN2O/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16;1-21(2,3)24-20(26)23-15-5-10-18-14(12-22)13-25(19(18)11-15)16-6-8-17(27-4)9-7-16;1-3-24-19(10-7-14-5-4-6-16(11-14)26-2)18(13-22)17-9-8-15(21(23)25)12-20(17)24;1-2-24-18(10-5-13-3-7-15(22)8-4-13)17(12-21)16-9-6-14(20(23)25)11-19(16)24;1-3-10-26-20(24)22-15-4-9-18-14(12-21)13-23(19(18)11-15)16-5-7-17(25-2)8-6-16;1-2-23-18(11-8-14-6-4-3-5-7-14)17(13-21)16-10-9-15(20(22)24)12-19(16)23;1-22-19(11-6-14-4-7-15(23-2)8-5-14)18(13-21)17-10-9-16(24-3)12-20(17)22;1-14-4-6-15(7-5-14)8-11-19-18(13-21)17-10-9-16(23-3)12-20(17)22(19)2;1-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23-2)11-19(16)22;1-3-21-18-11-15(22-2)9-10-16(18)17(12-20)19(21)13-23-14-7-5-4-6-8-14;1-12-5-4-6-13(9-12)18-16(11-19)15-8-7-14(21-3)10-17(15)20(18)2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h2-15H,1H3,(H2,26,29);5-11,13H,1-4H3,(H2,23,24,26);4-6,8-9,11-12H,3H2,1-2H3,(H2,23,25);3-4,6-9,11H,2,22H2,1H3,(H2,23,25);4-9,11,13H,3,10H2,1-2H3,(H,22,24);3-7,9-10,12H,2H2,1H3,(H2,22,24);4-5,7-10,12H,1-3H3;4-7,9-10,12H,1-3H3;3-4,6-9,11H,1-2H3;4-11H,3,13H2,1-2H3;4-10H,1-3H3;2-8,10H,1H3
InChIKeyGPKCTDAGLWSCPZ-UHFFFAOYSA-N
MW3892.48 g/mol
LogP45.75
Rot. Bonds33

About 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate

2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate (PubChem CID 158325925) has the molecular formula C239H198F2N32O19S and a molecular weight of 3892.48 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
PubChem CID158325925
Molecular FormulaC239H198F2N32O19S
Molecular Weight3892.48 g/mol
Exact Mass3889.52
IUPAC Name2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
SMILESCCCOC(=O)Nc1ccc2c(C#N)cn(-c3ccc(OC)cc3)c2c1.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(COc2ccccc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(NC(=O)NC(C)(C)C)cc32)cc1.COc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2C)cc1.COc1ccc2c(C#N)c(-c3cccc(C)c3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(C)cc3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C25H19N3O2S.C21H22N4O2.C21H17N3O2.C20H16N4O.C20H19N3O3.C20H15N3O.C20H16N2O2.C20H16N2O.C19H13FN2O.C19H18N2O2.C18H16N2O.C16H11FN2O/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16;1-21(2,3)24-20(26)23-15-5-10-18-14(12-22)13-25(19(18)11-15)16-6-8-17(27-4)9-7-16;1-3-24-19(10-7-14-5-4-6-16(11-14)26-2)18(13-22)17-9-8-15(21(23)25)12-20(17)24;1-2-24-18(10-5-13-3-7-15(22)8-4-13)17(12-21)16-9-6-14(20(23)25)11-19(16)24;1-3-10-26-20(24)22-15-4-9-18-14(12-21)13-23(19(18)11-15)16-5-7-17(25-2)8-6-16;1-2-23-18(11-8-14-6-4-3-5-7-14)17(13-21)16-10-9-15(20(22)24)12-19(16)23;1-22-19(11-6-14-4-7-15(23-2)8-5-14)18(13-21)17-10-9-16(24-3)12-20(17)22;1-14-4-6-15(7-5-14)8-11-19-18(13-21)17-10-9-16(23-3)12-20(17)22(19)2;1-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23-2)11-19(16)22;1-3-21-18-11-15(22-2)9-10-16(18)17(12-20)19(21)13-23-14-7-5-4-6-8-14;1-12-5-4-6-13(9-12)18-16(11-19)15-8-7-14(21-3)10-17(15)20(18)2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h2-15H,1H3,(H2,26,29);5-11,13H,1-4H3,(H2,23,24,26);4-6,8-9,11-12H,3H2,1-2H3,(H2,23,25);3-4,6-9,11H,2,22H2,1H3,(H2,23,25);4-9,11,13H,3,10H2,1-2H3,(H,22,24);3-7,9-10,12H,2H2,1H3,(H2,22,24);4-5,7-10,12H,1-3H3;4-7,9-10,12H,1-3H3;3-4,6-9,11H,1-2H3;4-11H,3,13H2,1-2H3;4-10H,1-3H3;2-8,10H,1H3
InChIKeyGPKCTDAGLWSCPZ-UHFFFAOYSA-N
XLogP45.75
TPSA722.34 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003892.48
LogP ≤ 545.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate with MolForge

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Related Compounds

2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
CID 157085977
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 157141843
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 157498430
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 157650643
2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
CID 157699586
1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate
CID 157869402
2-(4-Tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
CID 158562884
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-(4-Ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
CID 159205448
1-Tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
CID 159531336
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 160003726
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzamide;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;2-(1-ethyl-6-methoxyindol-3-yl)-1,3-thiazole;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
CID 160165966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate?
The IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate (CID 158325925) is 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate?
The canonical SMILES for 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate is CCCOC(=O)Nc1ccc2c(C#N)cn(-c3ccc(OC)cc3)c2c1.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(COc2ccccc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(NC(=O)NC(C)(C)C)cc32)cc1.COc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2C)cc1.COc1ccc2c(C#N)c(-c3cccc(C)c3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(C)cc3)n(C)c2c1.COc1ccc2c(C#N)c(C#Cc3ccc(F)cc3)n(C)c2c1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate?
The InChIKey is GPKCTDAGLWSCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S.C21H22N4O2.C21H17N3O2.C20H16N4O.C20H19N3O3.C20H15N3O.C20H16N2O2.C20H16N2O.C19H13FN2O.C19H18N2O2.C18H16N2O.C16H11FN2O/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16;1-21(2,3)24-20(26)23-15-5-10-18-14(12-22)13-25(19(18)11-15)16-6-8-17(27-4)9-7-16;1-3-24-19(10-7-14-5-4-6-16(11-14)26-2)18(13-22)17-9-8-15(21(23)25)12-20(17)24;1-2-24-18(10-5-13-3-7-15(22)8-4-13)17(12-21)16-9-6-14(20(23)25)11-19(16)24;1-3-10-26-20(24)22-15-4-9-18-14(12-21)13-23(19(18)11-15)16-5-7-17(25-2)8-6-16;1-2-23-18(11-8-14-6-4-3-5-7-14)17(13-21)16-10-9-15(20(22)24)12-19(16)23;1-22-19(11-6-14-4-7-15(23-2)8-5-14)18(13-21)17-10-9-16(24-3)12-20(17)22;1-14-4-6-15(7-5-14)8-11-19-18(13-21)17-10-9-16(23-3)12-20(17)22(19)2;1-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23-2)11-19(16)22;1-3-21-18-11-15(22-2)9-10-16(18)17(12-20)19(21)13-23-14-7-5-4-6-8-14;1-12-5-4-6-13(9-12)18-16(11-19)15-8-7-14(21-3)10-17(15)20(18)2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h2-15H,1H3,(H2,26,29);5-11,13H,1-4H3,(H2,23,24,26);4-6,8-9,11-12H,3H2,1-2H3,(H2,23,25);3-4,6-9,11H,2,22H2,1H3,(H2,23,25);4-9,11,13H,3,10H2,1-2H3,(H,22,24);3-7,9-10,12H,2H2,1H3,(H2,22,24);4-5,7-10,12H,1-3H3;4-7,9-10,12H,1-3H3;3-4,6-9,11H,1-2H3;4-11H,3,13H2,1-2H3;4-10H,1-3H3;2-8,10H,1H3.
What are the key properties of 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate?
2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate has a molecular weight of 3892.48 g/mol, XLogP of 45.75, 33 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethynyl]-3-cyano-1-ethylindole-6-carboxamide;1-tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;3-cyano-1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]indole-6-carboxamide;3-cyano-1-ethyl-2-(2-phenylethynyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-3-carbonitrile;6-methoxy-1-methyl-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;propyl N-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]carbamate is sourced from PubChem (CID 158325925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).