C289H272ClF19N42O36S6 — CID 158463886
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-(difluoromethoxy)-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-methyl-5-phenylmethoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 158463886) has the molecular formula C289H272ClF19N42O36S6 and a molecular weight of 5498.43 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-(difluoromethoxy)-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-methyl-5-phenylmethoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.
| Compound Name | 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-(difluoromethoxy)-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-methyl-5-phenylmethoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate |
|---|---|
| PubChem CID | 158463886 |
| Molecular Formula | C289H272ClF19N42O36S6 |
| Molecular Weight | 5498.43 g/mol |
| Exact Mass | 5493.85 |
| IUPAC Name | 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-(difluoromethoxy)-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-methyl-5-phenylmethoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate |
| SMILES | CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)c(F)c2)c(C#N)c2ccc(OC)cc21.Cn1c(-c2ccc(N)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21 |
| InChI | InChI=1S/C23H19N3O.2C22H22FN3O3.C21H21ClFN3O3S.C21H20F3N3O3S.C21H19F2N3O3.C21H20FN3O3S.C21H22FN3O3S.C21H20FN3O3.C20H18F3N3O3S.C20H20FN3O3S.C20H18FN3O3.C18H15F2N3O.C18H16FN3O/c1-26-22-12-11-19(27-15-16-5-3-2-4-6-16)13-20(22)21(14-24)23(26)17-7-9-18(25)10-8-17;1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-4-10-29-22(27)25-19-9-6-14(11-18(19)23)21-17(13-24)16-8-7-15(28-3)12-20(16)26(21)5-2;1-3-26-20-12-15(29-2)6-7-16(20)17(13-24)21(26)14-5-8-19(18(23)11-14)25-30(27,28)10-4-9-22;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-25-20-11-14(28-2)5-8-16(20)17(12-23)21(25)13-4-9-19(18(22)10-13)24-29(26,27)15-6-7-15;1-4-10-29(26,27)24-19-9-6-14(11-18(19)22)21-17(13-23)16-8-7-15(28-3)12-20(16)25(21)5-2;1-4-25-19-11-14(27-3)7-8-15(19)16(12-23)20(25)13-6-9-18(17(22)10-13)24-21(26)28-5-2;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-4-24-19-11-14(27-3)7-8-15(19)16(12-22)20(24)13-6-9-18(17(21)10-13)23-28(25,26)5-2;1-4-24-18-10-13(26-2)6-7-14(18)15(11-22)19(24)12-5-8-17(16(21)9-12)23-20(25)27-3;1-2-23-16-9-13(24-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(22)6-4-11;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h2-13H,15,25H2,1H3;6-11,13H,5H2,1-4H3,(H,25,27);6-9,11-12H,4-5,10H2,1-3H3,(H,25,27);5-8,11-12,25H,3-4,9-10H2,1-2H3;5-10,12,26H,3-4,11H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);4-5,8-11,15,24H,3,6-7H2,1-2H3;6-9,11-12,24H,4-5,10H2,1-3H3;6-11H,4-5H2,1-3H3,(H,24,26);5-11,25H,3-4H2,1-2H3;6-11,23H,4-5H2,1-3H3;5-10H,4H2,1-3H3,(H,23,25);3-9,18H,2,22H2,1H3;4-9H,3,21H2,1-2H3 |
| InChIKey | HFMYRQAGCDJYKR-UHFFFAOYSA-N |
| XLogP | 65.80 |
| TPSA | 1078.03 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 67 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 393 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5498.43 |
| LogP ≤ 5 | 65.80 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 67 |