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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile

C245H229BrF18N32O19 — CID 157388783

IUPAC2-(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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCN(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc4c(c3)OCO4)n(C)c2c1
InChIInChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C20H19BrN2O2.C20H18F3N3.C19H13F3N2O2.C19H15F3N2O.2C18H14F3N3.C18H13F3N2O.C18H14N2O3/c1-4-29-24-17-21(30-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)31-16-15-28-13-11-27(2)12-14-28;1-3-27-23-16-20(28-2)8-9-21(23)22(17-25)24(27)18-4-6-19(7-5-18)30-15-12-26-10-13-29-14-11-26;1-3-27-23-14-20(29-2)8-9-21(23)22(15-25)24(27)17-4-6-19(7-5-17)30-13-12-26-11-10-18(28)16-26;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-3-24-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(24)12-4-7-14(25-2)8-5-12;1-2-24-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(24)11-3-6-13(23)7-4-11;1-2-24-16-9-12(18(19,20)21)6-7-14(16)15(10-22)17(24)11-4-3-5-13(23)8-11;1-2-23-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(23)11-3-6-13(24)7-4-11;1-20-15-8-12(21-2)4-5-13(15)14(9-19)18(20)11-3-6-16-17(7-11)23-10-22-16/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;4-9,14,18,28H,3,10-13,16H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;3-8H,2,10H2,1H3;4-10H,3H2,1-2H3;2*3-9H,2,23H2,1H3;3-9,24H,2H2,1H3;3-8H,10H2,1-2H3/t;;18-;;;;;;;;;/m..0........./s1
InChIKeyBLTDHNCOWKCAKW-NLTLMRAVSA-N
MW4347.60 g/mol
LogP53.98
Rot. Bonds50

About 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile

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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 157388783) has the molecular formula C245H229BrF18N32O19 and a molecular weight of 4347.60 g/mol. Its IUPAC name is 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-(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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
PubChem CID157388783
Molecular FormulaC245H229BrF18N32O19
Molecular Weight4347.60 g/mol
Exact Mass4343.68
IUPAC Name2-(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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCN(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc4c(c3)OCO4)n(C)c2c1
InChIInChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C20H19BrN2O2.C20H18F3N3.C19H13F3N2O2.C19H15F3N2O.2C18H14F3N3.C18H13F3N2O.C18H14N2O3/c1-4-29-24-17-21(30-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)31-16-15-28-13-11-27(2)12-14-28;1-3-27-23-16-20(28-2)8-9-21(23)22(17-25)24(27)18-4-6-19(7-5-18)30-15-12-26-10-13-29-14-11-26;1-3-27-23-14-20(29-2)8-9-21(23)22(15-25)24(27)17-4-6-19(7-5-17)30-13-12-26-11-10-18(28)16-26;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-3-24-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(24)12-4-7-14(25-2)8-5-12;1-2-24-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(24)11-3-6-13(23)7-4-11;1-2-24-16-9-12(18(19,20)21)6-7-14(16)15(10-22)17(24)11-4-3-5-13(23)8-11;1-2-23-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(23)11-3-6-13(24)7-4-11;1-20-15-8-12(21-2)4-5-13(15)14(9-19)18(20)11-3-6-16-17(7-11)23-10-22-16/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;4-9,14,18,28H,3,10-13,16H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;3-8H,2,10H2,1H3;4-10H,3H2,1-2H3;2*3-9H,2,23H2,1H3;3-9,24H,2H2,1H3;3-8H,10H2,1-2H3/t;;18-;;;;;;;;;/m..0........./s1
InChIKeyBLTDHNCOWKCAKW-NLTLMRAVSA-N
XLogP53.98
TPSA613.49 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004347.60
LogP ≤ 553.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Analyze 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile with MolForge

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Related Compounds

2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 157115071
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-(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)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157250561
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)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157574609
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-(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;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 158506269
2-[4-[2-(aminodiazenyl)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 158695692
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
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)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-6-methoxy-1-methylindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 160261679
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)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 160396074
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
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-2-[2-(4-hydroxyphenyl)ethynyl]-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
CID 161908761

Frequently Asked Questions

What is the IUPAC name of 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile (CID 157388783) is 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile is CCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCN(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc4c(c3)OCO4)n(C)c2c1.
What is the InChIKey of 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is BLTDHNCOWKCAKW-NLTLMRAVSA-N. The full InChI is InChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C20H19BrN2O2.C20H18F3N3.C19H13F3N2O2.C19H15F3N2O.2C18H14F3N3.C18H13F3N2O.C18H14N2O3/c1-4-29-24-17-21(30-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)31-16-15-28-13-11-27(2)12-14-28;1-3-27-23-16-20(28-2)8-9-21(23)22(17-25)24(27)18-4-6-19(7-5-18)30-15-12-26-10-13-29-14-11-26;1-3-27-23-14-20(29-2)8-9-21(23)22(15-25)24(27)17-4-6-19(7-5-17)30-13-12-26-11-10-18(28)16-26;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-3-24-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(24)12-4-7-14(25-2)8-5-12;1-2-24-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(24)11-3-6-13(23)7-4-11;1-2-24-16-9-12(18(19,20)21)6-7-14(16)15(10-22)17(24)11-4-3-5-13(23)8-11;1-2-23-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(23)11-3-6-13(24)7-4-11;1-20-15-8-12(21-2)4-5-13(15)14(9-19)18(20)11-3-6-16-17(7-11)23-10-22-16/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;4-9,14,18,28H,3,10-13,16H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;3-8H,2,10H2,1H3;4-10H,3H2,1-2H3;2*3-9H,2,23H2,1H3;3-9,24H,2H2,1H3;3-8H,10H2,1-2H3/t;;18-;;;;;;;;;/m..0........./s1.
What are the key properties of 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?
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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 4347.60 g/mol, XLogP of 53.98, 50 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-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;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 157388783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).