C301H322N39O35P — CID 161170789
benzyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-methoxyindole-3-carbonitrile;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 161170789) has the molecular formula C301H322N39O35P and a molecular weight of 5077.10 g/mol. Its IUPAC name is benzyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-methoxyindole-3-carbonitrile;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate.
| Compound Name | benzyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-methoxyindole-3-carbonitrile;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 161170789 |
| Molecular Formula | C301H322N39O35P |
| Molecular Weight | 5077.10 g/mol |
| Exact Mass | 5073.44 |
| IUPAC Name | benzyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-methoxyindole-3-carbonitrile;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate |
| SMILES | CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1)OCC.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)(C)C)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OCCCN3CCCC3)cc21.COc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC(C)(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OCc4ccccc4)cc3)n(C3CCC3)c2c1 |
| InChI | InChI=1S/C28H25N3O3.C27H30N4O3.2C26H29N3O3.C25H28N4O2.2C25H27N3O3.C24H26N4O2.C24H28N3O4P.2C24H25N3O3.C23H23N3O3/c1-33-23-14-15-24-25(17-29)27(31(26(24)16-23)22-8-5-9-22)20-10-12-21(13-11-20)30-28(32)34-18-19-6-3-2-4-7-19;1-2-30-25-18-22(33-16-5-14-29-12-3-4-13-29)10-11-23(25)24(19-28)26(30)20-6-8-21(9-7-20)31-15-17-34-27(31)32;1-26(2,3)16-32-25(30)28-18-10-8-17(9-11-18)24-22(15-27)21-13-12-20(31-4)14-23(21)29(24)19-6-5-7-19;1-5-31-20-13-14-21-22(16-27)24(29(23(21)15-20)19-7-6-8-19)17-9-11-18(12-10-17)28-25(30)32-26(2,3)4;1-4-31-20-12-13-21-22(15-26)24(29(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)28-25(30)27-16(2)3;1-16(2)15-31-25(29)27-18-9-7-17(8-10-18)24-22(14-26)21-12-11-20(30-3)13-23(21)28(24)19-5-4-6-19;1-3-4-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-2)15-23(21)28(24)19-6-5-7-19;1-15(2)26-24(29)27-17-9-7-16(8-10-17)23-21(14-25)20-12-11-19(30-3)13-22(20)28(23)18-5-4-6-18;1-4-30-32(28,31-5-2)26-18-11-9-17(10-12-18)24-22(16-25)21-14-13-20(29-3)15-23(21)27(24)19-7-6-8-19;1-15(2)30-24(28)26-17-9-7-16(8-10-17)23-21(14-25)20-12-11-19(29-3)13-22(20)27(23)18-5-4-6-18;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-5-4-6-18;1-3-29-23(27)25-16-9-7-15(8-10-16)22-20(14-24)19-12-11-18(28-2)13-21(19)26(22)17-5-4-6-17/h2-4,6-7,10-16,22H,5,8-9,18H2,1H3,(H,30,32);6-11,18H,2-5,12-17H2,1H3;8-14,19H,5-7,16H2,1-4H3,(H,28,30);9-15,19H,5-8H2,1-4H3,(H,28,30);8-14,16,19H,4-7H2,1-3H3,(H2,27,28,30);7-13,16,19H,4-6,15H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);7-13,15,18H,4-6H2,1-3H3,(H2,26,27,29);9-15,19H,4-8H2,1-3H3,(H,26,28);7-13,15,18H,4-6H2,1-3H3,(H,26,28);7-12,14,18H,3-6,13H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27) |
| InChIKey | URDNKOVJEZXFGK-UHFFFAOYSA-N |
| XLogP | 72.23 |
| TPSA | 924.64 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 376 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5077.10 |
| LogP ≤ 5 | 72.23 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 60 |