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

C246H212ClF2N31O23S — CID 160992720

IUPAC1-(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
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.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#Cc2ccc(OC)c(OC)c2)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#Cc2ccccc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.N#Cc1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H20N2O3.C22H20N2O2.C21H18N2O.2C20H15FN2O.C20H16N2O2.C17H13N3O2.C9H5N3O2/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;1-5-24-19(10-6-15-7-11-21(26-3)22(12-15)27-4)18(14-23)17-9-8-16(25-2)13-20(17)24;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(19)24;1-4-23-20(12-9-16-8-6-5-7-15(16)2)19(14-22)18-11-10-17(24-3)13-21(18)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;1-2-12-3-5-14(6-4-12)19-11-13(10-18)16-8-7-15(20(21)22)9-17(16)19;10-4-6-5-11-9-3-7(12(13)14)1-2-8(6)9/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;7-9,11-13H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;5-8,10-11,13H,4H2,1-3H3;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;3-9,11H,2H2,1H3;1-3,5,11H
InChIKeyLFSHJFCYTQBYFF-UHFFFAOYSA-N
MW4076.11 g/mol
LogP47.52
Rot. Bonds38

About 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

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 (PubChem CID 160992720) has the molecular formula C246H212ClF2N31O23S and a molecular weight of 4076.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160992720
Molecular FormulaC246H212ClF2N31O23S
Molecular Weight4076.11 g/mol
Exact Mass4072.57
IUPAC Name1-(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
SMILESCCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.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#Cc2ccc(OC)c(OC)c2)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#Cc2ccccc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.N#Cc1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H20N2O3.C22H20N2O2.C21H18N2O.2C20H15FN2O.C20H16N2O2.C17H13N3O2.C9H5N3O2/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;1-5-24-19(10-6-15-7-11-21(26-3)22(12-15)27-4)18(14-23)17-9-8-16(25-2)13-20(17)24;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(19)24;1-4-23-20(12-9-16-8-6-5-7-15(16)2)19(14-22)18-11-10-17(24-3)13-21(18)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;1-2-12-3-5-14(6-4-12)19-11-13(10-18)16-8-7-15(20(21)22)9-17(16)19;10-4-6-5-11-9-3-7(12(13)14)1-2-8(6)9/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;7-9,11-13H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;5-8,10-11,13H,4H2,1-3H3;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;3-9,11H,2H2,1H3;1-3,5,11H
InChIKeyLFSHJFCYTQBYFF-UHFFFAOYSA-N
XLogP47.52
TPSA718.71 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004076.11
LogP ≤ 547.52
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;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 with MolForge

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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
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;(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;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
CID 158374843
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;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
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]-N-methylethanesulfonamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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
CID 159375547
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
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;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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
CID 161615599

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.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#Cc2ccc(OC)c(OC)c2)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#Cc2ccccc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.N#Cc1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 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?
The InChIKey is LFSHJFCYTQBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H23N3O2.C23H21ClN4O2.C23H23N3O3S.C22H20N2O3.C22H20N2O2.C21H18N2O.2C20H15FN2O.C20H16N2O2.C17H13N3O2.C9H5N3O2/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;1-5-24-19(10-6-15-7-11-21(26-3)22(12-15)27-4)18(14-23)17-9-8-16(25-2)13-20(17)24;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(19)24;1-4-23-20(12-9-16-8-6-5-7-15(16)2)19(14-22)18-11-10-17(24-3)13-21(18)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;1-2-12-3-5-14(6-4-12)19-11-13(10-18)16-8-7-15(20(21)22)9-17(16)19;10-4-6-5-11-9-3-7(12(13)14)1-2-8(6)9/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;7-9,11-13H,5H2,1-4H3;6-7,9-12,14H,4-5H2,1-3H3;5-8,10-11,13H,4H2,1-3H3;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;3-9,11H,2H2,1H3;1-3,5,11H.
What are the key properties of 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?
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 has a molecular weight of 4076.11 g/mol, XLogP of 47.52, 38 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;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 is sourced from PubChem (CID 160992720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).