2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile

C258H215F9N28O24S3 — CID 159561676

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3ccc(OC)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3cccc4ccccc34)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C29H20N2O.C26H17F3N2O.C26H20N2O2.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H16N2O3.C21H18N2O2.2C20H21N3O3S.C19H17N3O2.C12H9F3N2/c1-2-31-28-18-24(32)16-17-26(28)27(19-30)29(31)23-14-11-20(12-15-23)10-13-22-8-5-7-21-6-3-4-9-25(21)22;1-2-31-24-15-21(32)13-14-22(24)23(16-30)25(31)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)26(27,28)29;1-3-28-25-16-21(29)12-15-23(25)24(17-27)26(28)20-10-6-18(7-11-20)4-5-19-8-13-22(30-2)14-9-19;1-3-24-19(18(14-23)17-7-6-16(25-2)13-20(17)24)8-4-15-5-9-21-22(12-15)27-11-10-26-21;1-3-26-19-11-9-16(27-2)12-17(19)18(13-25)20(26)10-6-14-4-7-15(8-5-14)21(22,23)24;1-5-24-20-13-17(27-4)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23(3)28(25,26)6-2;1-3-23-18(8-4-14-5-9-20-21(10-14)26-13-25-20)17(12-22)16-7-6-15(24-2)11-19(16)23;1-4-23-20-12-10-17(25-3)13-18(20)19(14-22)21(23)11-7-15-5-8-16(24-2)9-6-15;2*1-5-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22(2)27(4,24)25;1-3-22-18-10-15(24)8-9-16(18)17(11-20)19(22)13-4-6-14(7-5-13)21-12(2)23;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14-18,32H,2H2,1H3;5-15,32H,2H2,1H3;6-16,29H,3H2,1-2H3;5-7,9,12-13H,3,10-11H2,1-2H3;4-5,7-9,11-12H,3H2,1-2H3;7-13H,5-6H2,1-4H3;5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;2*6-12H,5H2,1-4H3;4-10,24H,3H2,1-2H3,(H,21,23);3-5,7H,2H2,1H3
InChIKeyMGRVJMPXVUNLMD-UHFFFAOYSA-N
MW4358.91 g/mol
LogP53.01
Rot. Bonds36

About 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile

2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 159561676) has the molecular formula C258H215F9N28O24S3 and a molecular weight of 4358.91 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
PubChem CID159561676
Molecular FormulaC258H215F9N28O24S3
Molecular Weight4358.91 g/mol
Exact Mass4355.55
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3ccc(OC)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3cccc4ccccc34)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C29H20N2O.C26H17F3N2O.C26H20N2O2.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H16N2O3.C21H18N2O2.2C20H21N3O3S.C19H17N3O2.C12H9F3N2/c1-2-31-28-18-24(32)16-17-26(28)27(19-30)29(31)23-14-11-20(12-15-23)10-13-22-8-5-7-21-6-3-4-9-25(21)22;1-2-31-24-15-21(32)13-14-22(24)23(16-30)25(31)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)26(27,28)29;1-3-28-25-16-21(29)12-15-23(25)24(17-27)26(28)20-10-6-18(7-11-20)4-5-19-8-13-22(30-2)14-9-19;1-3-24-19(18(14-23)17-7-6-16(25-2)13-20(17)24)8-4-15-5-9-21-22(12-15)27-11-10-26-21;1-3-26-19-11-9-16(27-2)12-17(19)18(13-25)20(26)10-6-14-4-7-15(8-5-14)21(22,23)24;1-5-24-20-13-17(27-4)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23(3)28(25,26)6-2;1-3-23-18(8-4-14-5-9-20-21(10-14)26-13-25-20)17(12-22)16-7-6-15(24-2)11-19(16)23;1-4-23-20-12-10-17(25-3)13-18(20)19(14-22)21(23)11-7-15-5-8-16(24-2)9-6-15;2*1-5-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22(2)27(4,24)25;1-3-22-18-10-15(24)8-9-16(18)17(11-20)19(22)13-4-6-14(7-5-13)21-12(2)23;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14-18,32H,2H2,1H3;5-15,32H,2H2,1H3;6-16,29H,3H2,1-2H3;5-7,9,12-13H,3,10-11H2,1-2H3;4-5,7-9,11-12H,3H2,1-2H3;7-13H,5-6H2,1-4H3;5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;2*6-12H,5H2,1-4H3;4-10,24H,3H2,1-2H3,(H,21,23);3-5,7H,2H2,1H3
InChIKeyMGRVJMPXVUNLMD-UHFFFAOYSA-N
XLogP53.01
TPSA686.79 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004358.91
LogP ≤ 553.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Analyze 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile with MolForge

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Related Compounds

2-[2-(1,3-Benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 157230836
2-[2-(3-Aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 158068823
2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 158082803
N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 158199942
CID 158363973
CID 158363973
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 159622356
N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 159652345
2-(1,3-benzodioxol-5-yl)-6-methoxy-1-methylindole-3-carbonitrile;2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 159947054
N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 160516315
2-(3-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-6-methoxy-1-methylindole-3-carbonitrile;2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 160519938
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
CID 160622525
1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;6-bromo-1-ethylindole-3-carbonitrile;6-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 161683422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile (CID 159561676) is 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile is CCn1c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3ccc(OC)cc3)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(C#Cc3cccc4ccccc34)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is MGRVJMPXVUNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O.C26H17F3N2O.C26H20N2O2.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H16N2O3.C21H18N2O2.2C20H21N3O3S.C19H17N3O2.C12H9F3N2/c1-2-31-28-18-24(32)16-17-26(28)27(19-30)29(31)23-14-11-20(12-15-23)10-13-22-8-5-7-21-6-3-4-9-25(21)22;1-2-31-24-15-21(32)13-14-22(24)23(16-30)25(31)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)26(27,28)29;1-3-28-25-16-21(29)12-15-23(25)24(17-27)26(28)20-10-6-18(7-11-20)4-5-19-8-13-22(30-2)14-9-19;1-3-24-19(18(14-23)17-7-6-16(25-2)13-20(17)24)8-4-15-5-9-21-22(12-15)27-11-10-26-21;1-3-26-19-11-9-16(27-2)12-17(19)18(13-25)20(26)10-6-14-4-7-15(8-5-14)21(22,23)24;1-5-24-20-13-17(27-4)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23(3)28(25,26)6-2;1-3-23-18(8-4-14-5-9-20-21(10-14)26-13-25-20)17(12-22)16-7-6-15(24-2)11-19(16)23;1-4-23-20-12-10-17(25-3)13-18(20)19(14-22)21(23)11-7-15-5-8-16(24-2)9-6-15;2*1-5-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22(2)27(4,24)25;1-3-22-18-10-15(24)8-9-16(18)17(11-20)19(22)13-4-6-14(7-5-13)21-12(2)23;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14-18,32H,2H2,1H3;5-15,32H,2H2,1H3;6-16,29H,3H2,1-2H3;5-7,9,12-13H,3,10-11H2,1-2H3;4-5,7-9,11-12H,3H2,1-2H3;7-13H,5-6H2,1-4H3;5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;2*6-12H,5H2,1-4H3;4-10,24H,3H2,1-2H3,(H,21,23);3-5,7H,2H2,1H3.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?
2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 4358.91 g/mol, XLogP of 53.01, 36 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;bis(N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide);2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-(2-naphthalen-1-ylethynyl)phenyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 159561676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).