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

C127H128F9N19O7 — CID 157115071

IUPAC2-(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
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(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(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H30N4O2.C24H27N3O3.C22H25N3O2.C20H18F3N3.2C18H14F3N3/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;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-16-9-12(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/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;5-11H,4H2,1-3H3;2*3-9H,2,23H2,1H3
InChIKeyAHHMQXCNDPENOJ-UHFFFAOYSA-N
MW2203.53 g/mol
LogP26.79
Rot. Bonds28

About 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

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 (PubChem CID 157115071) has the molecular formula C127H128F9N19O7 and a molecular weight of 2203.53 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-[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.

Molecular Properties

Compound Name2-(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
PubChem CID157115071
Molecular FormulaC127H128F9N19O7
Molecular Weight2203.53 g/mol
Exact Mass2202.01
IUPAC Name2-(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
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(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(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H30N4O2.C24H27N3O3.C22H25N3O2.C20H18F3N3.2C18H14F3N3/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;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-16-9-12(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/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;5-11H,4H2,1-3H3;2*3-9H,2,23H2,1H3
InChIKeyAHHMQXCNDPENOJ-UHFFFAOYSA-N
XLogP26.79
TPSA305.17 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.53
LogP ≤ 526.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-[4,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2-cyanophenyl)phenyl]-4-[[9-[4,5-bis(3-cyanophenyl)-2-(2,7-dimethoxycarbazol-9-yl)phenyl]-7-methoxycarbazol-2-yl]oxymethyl]benzonitrile
CID 132112062
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
CID 157180715
N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 157229070
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-(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
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157480518
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
N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 157618931
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157845134
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
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
CID 158684680
9-[5-[3-(2,7-Dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 158748864

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-[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?
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-[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) is 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.
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-[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?
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-[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 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(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(-c2cccc(N)c2)c(C#N)c2ccc(C(F)(F)F)cc21.
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-[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?
The InChIKey is AHHMQXCNDPENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C24H27N3O3.C22H25N3O2.C20H18F3N3.2C18H14F3N3/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;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)3;1-2-24-16-9-12(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/h5-10,17H,4,11-16H2,1-3H3;4-9,16H,3,10-15H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;5-11H,4H2,1-3H3;2*3-9H,2,23H2,1H3.
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-[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?
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 has a molecular weight of 2203.53 g/mol, XLogP of 26.79, 28 rotatable bonds, 2 hydrogen bond donors, and 26 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-[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 is sourced from PubChem (CID 157115071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).