1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile

C245H210Cl2F2N32O22S — CID 158593226

IUPAC1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C#N
InChIInChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H21N3O.C22H20N2O2.C20H15ClN2O.2C20H15FN2O.C20H16N2O2.C16H11N3O3.C10H7N3O2/c1-3-28-23(22(16-26)21-13-12-20(30-2)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(29)18-5-4-6-18;1-5-27-22(21(15-25)20-12-11-19(29-4)14-23(20)27)13-8-17-6-9-18(10-7-17)26-24(28)16(2)3;1-3-28-21(20(15-25)19-10-9-18(30-2)14-22(19)28)11-6-16-4-7-17(8-5-16)27-23(29)26-13-12-24;1-5-26-22(21(16-24)20-13-12-19(29-4)15-23(20)26)14-9-17-7-10-18(11-8-17)25(3)30(27,28)6-2;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;1-3-23-19(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;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23;1-3-22-19(10-7-14-5-4-6-15(23)11-14)18(13-21)17-9-8-16(24-2)12-20(17)22;1-22-14-5-2-12(3-6-14)18-10-11(9-17)15-7-4-13(19(20)21)8-16(15)18;1-6-9(5-11)8-3-2-7(13(14)15)4-10(8)12-6/h7-8,10-13,15,18H,3-6H2,1-2H3,(H,27,29);6-7,9-12,14,16H,5H2,1-4H3,(H,26,28);4-5,7-10,14H,3,12-13H2,1-2H3,(H2,26,27,29);7-8,10-13,15H,5-6H2,1-4H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;4-7,9-10,12H,3H2,1-2H3;4-6,8-9,11-12,23H,3H2,1-2H3;2-8,10H,1H3;2-4,12H,1H3
InChIKeyVWMZQUMXOYXRDR-UHFFFAOYSA-N
MW4095.55 g/mol
LogP47.67
Rot. Bonds37

About 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile

1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile (PubChem CID 158593226) has the molecular formula C245H210Cl2F2N32O22S and a molecular weight of 4095.55 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
PubChem CID158593226
Molecular FormulaC245H210Cl2F2N32O22S
Molecular Weight4095.55 g/mol
Exact Mass4091.54
IUPAC Name1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C#N
InChIInChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H21N3O.C22H20N2O2.C20H15ClN2O.2C20H15FN2O.C20H16N2O2.C16H11N3O3.C10H7N3O2/c1-3-28-23(22(16-26)21-13-12-20(30-2)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(29)18-5-4-6-18;1-5-27-22(21(15-25)20-12-11-19(29-4)14-23(20)27)13-8-17-6-9-18(10-7-17)26-24(28)16(2)3;1-3-28-21(20(15-25)19-10-9-18(30-2)14-22(19)28)11-6-16-4-7-17(8-5-16)27-23(29)26-13-12-24;1-5-26-22(21(16-24)20-13-12-19(29-4)15-23(20)26)14-9-17-7-10-18(11-8-17)25(3)30(27,28)6-2;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;1-3-23-19(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;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23;1-3-22-19(10-7-14-5-4-6-15(23)11-14)18(13-21)17-9-8-16(24-2)12-20(17)22;1-22-14-5-2-12(3-6-14)18-10-11(9-17)15-7-4-13(19(20)21)8-16(15)18;1-6-9(5-11)8-3-2-7(13(14)15)4-10(8)12-6/h7-8,10-13,15,18H,3-6H2,1-2H3,(H,27,29);6-7,9-12,14,16H,5H2,1-4H3,(H,26,28);4-5,7-10,14H,3,12-13H2,1-2H3,(H2,26,27,29);7-8,10-13,15H,5-6H2,1-4H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;4-7,9-10,12H,3H2,1-2H3;4-6,8-9,11-12,23H,3H2,1-2H3;2-8,10H,1H3;2-4,12H,1H3
InChIKeyVWMZQUMXOYXRDR-UHFFFAOYSA-N
XLogP47.67
TPSA712.72 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds37
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004095.55
LogP ≤ 547.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-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

1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;2-[2-(3,4-dimethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;6-nitro-1H-indole-3-carbonitrile
CID 157649309
1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;6-nitro-1H-indole-3-carbonitrile
CID 158069036
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
CID 158383772
1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
CID 158795648
1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(3,4-dimethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile;1-(4-ethylphenyl)-6-nitroindole-3-carbonitrile;6-nitro-1H-indole-3-carbonitrile
CID 160992720
1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
CID 161342406

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?
The IUPAC name of 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile (CID 158593226) is 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile.
What is the SMILES notation for 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?
The canonical SMILES for 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile is CCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C#N.
What is the InChIKey of 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?
The InChIKey is VWMZQUMXOYXRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H21N3O.C22H20N2O2.C20H15ClN2O.2C20H15FN2O.C20H16N2O2.C16H11N3O3.C10H7N3O2/c1-3-28-23(22(16-26)21-13-12-20(30-2)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(29)18-5-4-6-18;1-5-27-22(21(15-25)20-12-11-19(29-4)14-23(20)27)13-8-17-6-9-18(10-7-17)26-24(28)16(2)3;1-3-28-21(20(15-25)19-10-9-18(30-2)14-22(19)28)11-6-16-4-7-17(8-5-16)27-23(29)26-13-12-24;1-5-26-22(21(16-24)20-13-12-19(29-4)15-23(20)26)14-9-17-7-10-18(11-8-17)25(3)30(27,28)6-2;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;1-3-23-19(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;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23;1-3-22-19(10-7-14-5-4-6-15(23)11-14)18(13-21)17-9-8-16(24-2)12-20(17)22;1-22-14-5-2-12(3-6-14)18-10-11(9-17)15-7-4-13(19(20)21)8-16(15)18;1-6-9(5-11)8-3-2-7(13(14)15)4-10(8)12-6/h7-8,10-13,15,18H,3-6H2,1-2H3,(H,27,29);6-7,9-12,14,16H,5H2,1-4H3,(H,26,28);4-5,7-10,14H,3,12-13H2,1-2H3,(H2,26,27,29);7-8,10-13,15H,5-6H2,1-4H3;6-7,9-12,14H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;4-7,9-10,12H,3H2,1-2H3;4-6,8-9,11-12,23H,3H2,1-2H3;2-8,10H,1H3;2-4,12H,1H3.
What are the key properties of 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?
1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile has a molecular weight of 4095.55 g/mol, XLogP of 47.67, 37 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;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-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile is sourced from PubChem (CID 158593226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).