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

C214H223F6N31O23S2 — CID 158695692

IUPAC2-[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
SMILESCCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCC/N=N/N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN)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(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C21H23N3O4S.C20H18F3N3.C20H21N5O2.C20H21N3O2.C19H13F3N2O2.C19H18N2O3S/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;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;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;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;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;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-4-21-18-11-14(24-2)7-10-16(18)17(12-20)19(21)13-5-8-15(9-6-13)25(3,22)23/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;5-10,13,23H,4,11-12H2,1-3H3;5-11H,4H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H2,22,23);4-9,12H,3,10-11,21H2,1-2H3;3-8H,2,10H2,1H3;5-11H,4H2,1-3H3/t;;18-;;;;;;;/m..0......./s1
InChIKeyMIGWRWSGMYOXKF-OLOXDOADSA-N
MW3775.45 g/mol
LogP40.00
Rot. Bonds58

About 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

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 (PubChem CID 158695692) has the molecular formula C214H223F6N31O23S2 and a molecular weight of 3775.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158695692
Molecular FormulaC214H223F6N31O23S2
Molecular Weight3775.45 g/mol
Exact Mass3772.66
IUPAC Name2-[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
SMILESCCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCC/N=N/N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN)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(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C21H23N3O4S.C20H18F3N3.C20H21N5O2.C20H21N3O2.C19H13F3N2O2.C19H18N2O3S/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;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;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;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;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;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-4-21-18-11-14(24-2)7-10-16(18)17(12-20)19(21)13-5-8-15(9-6-13)25(3,22)23/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;5-10,13,23H,4,11-12H2,1-3H3;5-11H,4H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H2,22,23);4-9,12H,3,10-11,21H2,1-2H3;3-8H,2,10H2,1H3;5-11H,4H2,1-3H3/t;;18-;;;;;;;/m..0......./s1
InChIKeyMIGWRWSGMYOXKF-OLOXDOADSA-N
XLogP40.00
TPSA650.08 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds58
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003775.45
LogP ≤ 540.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCC/N=N/N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN)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(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 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?
The InChIKey is MIGWRWSGMYOXKF-OLOXDOADSA-N. The full InChI is InChI=1S/C25H30N4O2.2C24H27N3O3.C22H25N3O2.C21H23N3O4S.C20H18F3N3.C20H21N5O2.C20H21N3O2.C19H13F3N2O2.C19H18N2O3S/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;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;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;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;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;1-2-24-15-8-12(19(20,21)22)4-5-13(15)14(9-23)18(24)11-3-6-16-17(7-11)26-10-25-16;1-4-21-18-11-14(24-2)7-10-16(18)17(12-20)19(21)13-5-8-15(9-6-13)25(3,22)23/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;5-10,13,23H,4,11-12H2,1-3H3;5-11H,4H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H2,22,23);4-9,12H,3,10-11,21H2,1-2H3;3-8H,2,10H2,1H3;5-11H,4H2,1-3H3/t;;18-;;;;;;;/m..0......./s1.
What are the key properties of 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?
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 has a molecular weight of 3775.45 g/mol, XLogP of 40.00, 58 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158695692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).