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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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

C283H235F9N34O26S3 — CID 158363973

IUPAC2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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
SMILESCCn1c(-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(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H16N2O.C22H21N3O3S.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H17N3O2.C21H16N2O3.C21H18N2O2.C20H13F3N2O.C20H21N3O3S.C20H17N3O.C20H16N2O2.C19H15N3O.C12H9F3N2/c1-2-25-22(21(15-24)20-12-11-18(26)14-23(20)25)13-10-17-8-5-7-16-6-3-4-9-19(16)17;1-5-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24(2)29(4,26)27;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;1-3-24-20(19(13-22)18-10-9-17(26)12-21(18)24)11-6-15-4-7-16(8-5-15)23-14(2)25;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;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;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;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14,26H,2H2,1H3;6-7,9-12,14H,5H2,1-4H3;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;4-5,7-10,12,26H,3H2,1-2H3,(H,23,25);5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;3-4,6-9,11,26H,2H2,1H3;6-12H,5H2,1-4H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-5,7H,2H2,1H3
InChIKeyGTUMTXZRXQSSJQ-UHFFFAOYSA-N
MW4795.39 g/mol
LogP54.33
Rot. Bonds35

About 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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

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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 (PubChem CID 158363973) has the molecular formula C283H235F9N34O26S3 and a molecular weight of 4795.39 g/mol. Its IUPAC name is 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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
PubChem CID158363973
Molecular FormulaC283H235F9N34O26S3
Molecular Weight4795.39 g/mol
Exact Mass4791.71
IUPAC Name2-[2-(3-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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
SMILESCCn1c(-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(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H16N2O.C22H21N3O3S.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H17N3O2.C21H16N2O3.C21H18N2O2.C20H13F3N2O.C20H21N3O3S.C20H17N3O.C20H16N2O2.C19H15N3O.C12H9F3N2/c1-2-25-22(21(15-24)20-12-11-18(26)14-23(20)25)13-10-17-8-5-7-16-6-3-4-9-19(16)17;1-5-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24(2)29(4,26)27;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;1-3-24-20(19(13-22)18-10-9-17(26)12-21(18)24)11-6-15-4-7-16(8-5-15)23-14(2)25;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;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;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;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14,26H,2H2,1H3;6-7,9-12,14H,5H2,1-4H3;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;4-5,7-10,12,26H,3H2,1-2H3,(H,23,25);5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;3-4,6-9,11,26H,2H2,1H3;6-12H,5H2,1-4H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-5,7H,2H2,1H3
InChIKeyGTUMTXZRXQSSJQ-UHFFFAOYSA-N
XLogP54.33
TPSA801.60 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds35
Heavy Atoms355
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004795.39
LogP ≤ 554.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Analyze 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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?
The IUPAC name of 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 158363973) is 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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.
What is the SMILES notation for 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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?
The canonical SMILES for 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 is 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(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc3c(c2)OCCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccn2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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?
The InChIKey is GTUMTXZRXQSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O.C22H21N3O3S.C22H18N2O3.C21H15F3N2O.C21H23N3O3S.C21H17N3O2.C21H16N2O3.C21H18N2O2.C20H13F3N2O.C20H21N3O3S.C20H17N3O.C20H16N2O2.C19H15N3O.C12H9F3N2/c1-2-25-22(21(15-24)20-12-11-18(26)14-23(20)25)13-10-17-8-5-7-16-6-3-4-9-19(16)17;1-5-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24(2)29(4,26)27;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;1-3-24-20(19(13-22)18-10-9-17(26)12-21(18)24)11-6-15-4-7-16(8-5-15)23-14(2)25;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;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;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;1-3-23-19(10-7-14-5-4-6-15(22)11-14)18(13-21)17-9-8-16(24-2)12-20(17)23;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-3-22-18(10-7-14-6-4-5-11-21-14)17(13-20)16-9-8-15(23-2)12-19(16)22;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h3-9,11-12,14,26H,2H2,1H3;6-7,9-12,14H,5H2,1-4H3;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;4-5,7-10,12,26H,3H2,1-2H3,(H,23,25);5-7,9-11H,3,13H2,1-2H3;5-6,8-10,12-13H,4H2,1-3H3;3-4,6-9,11,26H,2H2,1H3;6-12H,5H2,1-4H3;4-6,8-9,11-12H,3,22H2,1-2H3;4-5,7-10,12,23H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-5,7H,2H2,1H3.
What are the key properties of 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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?
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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 has a molecular weight of 4795.39 g/mol, XLogP of 54.33, 35 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;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-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 is sourced from PubChem (CID 158363973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).