C258H275N39O32S6 — CID 160740575
2-(4-aminophenyl)-1-cyclobutyl-5-morpholin-4-ylindole-3-carbonitrile;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 160740575) has the molecular formula C258H275N39O32S6 and a molecular weight of 4626.68 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-cyclobutyl-5-morpholin-4-ylindole-3-carbonitrile;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate.
| Compound Name | 2-(4-aminophenyl)-1-cyclobutyl-5-morpholin-4-ylindole-3-carbonitrile;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 160740575 |
| Molecular Formula | C258H275N39O32S6 |
| Molecular Weight | 4626.68 g/mol |
| Exact Mass | 4622.94 |
| IUPAC Name | 2-(4-aminophenyl)-1-cyclobutyl-5-morpholin-4-ylindole-3-carbonitrile;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate |
| SMILES | CC(C)C(=O)Nc1ccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2C2CCC2)cc1.CC(C)COC(=O)Nc1ccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2C2CCC2)cc1.CC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(C(C)C)c2c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2C2CCC2)cc1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(N)cc2)n(C2CCC2)c2ccc(N3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OCC3COCO3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(Oc3ncccn3)ccc12 |
| InChI | InChI=1S/C28H32N4O3.C27H30N4O2.C27H27N3O4.C26H26N6O3S.C26H23N5O3S.C26H27N3O5S.C26H29N3O5S.C25H28N4O3S.C24H29N3O3S.C23H24N4O/c1-19(2)18-35-28(33)30-21-8-6-20(7-9-21)27-25(17-29)24-16-23(31-12-14-34-15-13-31)10-11-26(24)32(27)22-4-3-5-22;1-18(2)27(32)29-20-8-6-19(7-9-20)26-24(17-28)23-16-22(30-12-14-33-15-13-30)10-11-25(23)31(26)21-4-3-5-21;1-16(17-6-7-17)34-27(32)29-20-11-8-18(9-12-20)25-23(15-28)22-13-10-19(26(31)33-2)14-24(22)30(25)21-4-3-5-21;1-17(2)30-36(33,34)31-19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(35-26-28-13-4-14-29-26)15-24(22)32(25)20-5-3-6-20;27-15-23-22-11-8-20(34-26-28-12-1-13-29-26)14-24(22)31(16-17-2-3-17)25(23)18-4-6-19(7-5-18)30-35(32,33)21-9-10-21;27-13-24-23-12-20(33-15-21-14-32-16-34-21)8-11-25(23)29(19-2-1-3-19)26(24)17-4-6-18(7-5-17)28-35(30,31)22-9-10-22;1-2-12-35(30,31)28-19-8-6-18(7-9-19)26-24(14-27)23-13-21(33-16-22-15-32-17-34-22)10-11-25(23)29(26)20-4-3-5-20;1-2-33(30,31)27-19-8-6-18(7-9-19)25-23(17-26)22-16-21(28-12-14-32-15-13-28)10-11-24(22)29(25)20-4-3-5-20;1-6-13-30-20-11-12-21-22(15-25)24(27(16(2)3)23(21)14-20)18-7-9-19(10-8-18)26-31(28,29)17(4)5;24-15-21-20-14-19(26-10-12-28-13-11-26)8-9-22(20)27(18-2-1-3-18)23(21)16-4-6-17(25)7-5-16/h6-11,16,19,22H,3-5,12-15,18H2,1-2H3,(H,30,33);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H,29,32);8-14,16-17,21H,3-7H2,1-2H3,(H,29,32);4,7-15,17,20,30-31H,3,5-6H2,1-2H3;1,4-8,11-14,17,21,30H,2-3,9-10,16H2;4-8,11-12,19,21-22,28H,1-3,9-10,14-16H2;6-11,13,20,22,28H,2-5,12,15-17H2,1H3;6-11,16,20,27H,2-5,12-15H2,1H3;7-12,14,16-17,26H,6,13H2,1-5H3;4-9,14,18H,1-3,10-13,25H2/t;;16-;;;;;;;/m..1......./s1 |
| InChIKey | RVNHBPHHBYZEMO-LHFFISBPSA-N |
| XLogP | 51.44 |
| TPSA | 918.84 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 67 |
| Heavy Atoms | 335 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4626.68 |
| LogP ≤ 5 | 51.44 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 61 |