C375H381F6N37O30 — CID 157308718
4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-(1-phenylethyl)benzamide;2-[4-[(3-cyanophenyl)methylamino]phenyl]-1-cyclobutyl-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(cyclohexylmethylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3,5-dimethylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluoro-5-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluorophenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(2-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(4-propan-2-ylanilino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile (PubChem CID 157308718) has the molecular formula C375H381F6N37O30 and a molecular weight of 6000.39 g/mol. Its IUPAC name is 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-(1-phenylethyl)benzamide;2-[4-[(3-cyanophenyl)methylamino]phenyl]-1-cyclobutyl-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(cyclohexylmethylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3,5-dimethylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluoro-5-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluorophenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(2-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(4-propan-2-ylanilino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile.
| Compound Name | 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-(1-phenylethyl)benzamide;2-[4-[(3-cyanophenyl)methylamino]phenyl]-1-cyclobutyl-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(cyclohexylmethylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3,5-dimethylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluoro-5-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluorophenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(2-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(4-propan-2-ylanilino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile |
|---|---|
| PubChem CID | 157308718 |
| Molecular Formula | C375H381F6N37O30 |
| Molecular Weight | 6000.39 g/mol |
| Exact Mass | 5995.93 |
| IUPAC Name | 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-(1-phenylethyl)benzamide;2-[4-[(3-cyanophenyl)methylamino]phenyl]-1-cyclobutyl-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(cyclohexylmethylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3,5-dimethylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluoro-5-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3-fluorophenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[(2-methylphenyl)methylamino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(4-propan-2-ylanilino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile |
| SMILES | CC(C)c1ccc(Nc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)cc1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)c4ccccc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3)n(C3CCC3)c2c1.COc1ccc(Nc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)cc1.Cc1cc(C)cc(CNc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)c1.Cc1cc(F)cc(CNc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)c1.Cc1ccccc1CNc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NCC3CCCCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NCc3cccc(F)c3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3cccc(OC(F)(F)F)c3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1cccc(CNc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)c1 |
| InChI | InChI=1S/2C33H35N3O2.C32H32FN3O2.C32H30N4O2.C32H33N3O2.C31H28F3N3O3.C31H30FN3O3.C31H30FN3O2.2C31H31N3O3.C31H37N3O2.C27H29N3O4/c1-22(2)23-6-10-25(11-7-23)35-26-12-8-24(9-13-26)33-31(21-34)30-15-14-29(38-28-16-18-37-19-17-28)20-32(30)36(33)27-4-3-5-27;1-22-16-23(2)18-24(17-22)21-35-26-8-6-25(7-9-26)33-31(20-34)30-11-10-29(38-28-12-14-37-15-13-28)19-32(30)36(33)27-4-3-5-27;1-21-15-22(17-24(33)16-21)20-35-25-7-5-23(6-8-25)32-30(19-34)29-10-9-28(38-27-11-13-37-14-12-27)18-31(29)36(32)26-3-2-4-26;33-19-22-3-1-4-23(17-22)21-35-25-9-7-24(8-10-25)32-30(20-34)29-12-11-28(38-27-13-15-37-16-14-27)18-31(29)36(32)26-5-2-6-26;1-22-5-2-3-6-24(22)21-34-25-11-9-23(10-12-25)32-30(20-33)29-14-13-28(37-27-15-17-36-18-16-27)19-31(29)35(32)26-7-4-8-26;32-31(33,34)40-26-6-1-3-22(17-26)36-21-9-7-20(8-10-21)30-28(19-35)27-12-11-25(39-24-13-15-38-16-14-24)18-29(27)37(30)23-4-2-5-23;1-20(21-10-12-24(32)13-11-21)34-31(36)23-8-6-22(7-9-23)30-28(19-33)27-15-14-26(38-17-16-37-2)18-29(27)35(30)25-4-3-5-25;32-23-4-1-3-21(17-23)20-34-24-9-7-22(8-10-24)31-29(19-33)28-12-11-27(37-26-13-15-36-16-14-26)18-30(28)35(31)25-5-2-6-25;1-35-25-11-9-23(10-12-25)33-22-7-5-21(6-8-22)31-29(20-32)28-14-13-27(37-26-15-17-36-18-16-26)19-30(28)34(31)24-3-2-4-24;1-21(22-7-4-3-5-8-22)33-31(35)24-13-11-23(12-14-24)30-28(20-32)27-16-15-26(37-18-17-36-2)19-29(27)34(30)25-9-6-10-25;32-20-29-28-14-13-27(36-26-15-17-35-18-16-26)19-30(28)34(25-7-4-8-25)31(29)23-9-11-24(12-10-23)33-21-22-5-2-1-3-6-22;1-33-13-14-34-22-9-10-23-24(16-28)26(30(25(23)15-22)20-3-2-4-20)18-5-7-19(8-6-18)27(32)29-12-11-21(31)17-29/h6-15,20,22,27-28,35H,3-5,16-19H2,1-2H3;6-11,16-19,27-28,35H,3-5,12-15,21H2,1-2H3;5-10,15-18,26-27,35H,2-4,11-14,20H2,1H3;1,3-4,7-12,17-18,26-27,35H,2,5-6,13-16,21H2;2-3,5-6,9-14,19,26-27,34H,4,7-8,15-18,21H2,1H3;1,3,6-12,17-18,23-24,36H,2,4-5,13-16H2;6-15,18,20,25H,3-5,16-17H2,1-2H3,(H,34,36);1,3-4,7-12,17-18,25-26,34H,2,5-6,13-16,20H2;5-14,19,24,26,33H,2-4,15-18H2,1H3;3-5,7-8,11-16,19,21,25H,6,9-10,17-18H2,1-2H3,(H,33,35);9-14,19,22,25-26,33H,1-8,15-18,21H2;5-10,15,20-21,31H,2-4,11-14,17H2,1H3/t;;;;;;20-;;;;;21-/m......1....1/s1 |
| InChIKey | BCUDKWPAEHGXAE-KEQMFMQFSA-N |
| XLogP | 84.98 |
| TPSA | 815.42 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 88 |
| Heavy Atoms | 448 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6000.39 |
| LogP ≤ 5 | 84.98 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 64 |