C162H174ClF14N23O19 — CID 165004884
N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;3-[3-fluoro-4-[1-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 165004884) has the molecular formula C162H174ClF14N23O19 and a molecular weight of 3048.74 g/mol. Its IUPAC name is N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;3-[3-fluoro-4-[1-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione.
| Compound Name | N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;3-[3-fluoro-4-[1-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione |
|---|---|
| PubChem CID | 165004884 |
| Molecular Formula | C162H174ClF14N23O19 |
| Molecular Weight | 3048.74 g/mol |
| Exact Mass | 3046.28 |
| IUPAC Name | N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;3-[3-fluoro-4-[1-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione |
| SMILES | CN(C(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4ccc(F)cc34)cc2OC(F)(F)F)CC1.COc1cc(-c2cn(C)c(=O)c3ccc(F)cc23)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3ccc(F)cc23)cc(F)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.Cn1cc(-c2ccc(CN3CCC(N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)c2ccccc2c1=O |
| InChI | InChI=1S/C41H45ClF2N6O5.C41H43F5N6O5.C41H45F3N6O5.C39H41F4N5O4/c1-47-22-32(31-20-26(43)4-6-30(31)40(47)53)25-18-34(42)33(37(19-25)55-3)23-49-14-12-28(13-15-49)48(2)41(54)50-16-10-24(11-17-50)29-7-5-27(21-35(29)44)45-36-8-9-38(51)46-39(36)52;1-49-23-33(32-20-27(42)5-7-31(32)39(49)55)25-3-4-26(36(19-25)57-41(44,45)46)22-51-15-13-29(14-16-51)50(2)40(56)52-17-11-24(12-18-52)30-8-6-28(21-34(30)43)47-35-9-10-37(53)48-38(35)54;1-47-22-32(31-20-26(42)4-6-30(31)40(47)53)25-18-34(43)33(37(19-25)55-3)23-49-14-12-28(13-15-49)48(2)41(54)50-16-10-24(11-17-50)29-7-5-27(21-35(29)44)45-36-8-9-38(51)46-39(36)52;1-46-23-32(30-4-2-3-5-31(30)38(46)51)25-6-7-26(35(20-25)52-39(41,42)43)22-47-16-14-28(15-17-47)48-18-12-24(13-19-48)29-9-8-27(21-33(29)40)44-34-10-11-36(49)45-37(34)50/h4-7,18-22,24,28,36,45H,8-17,23H2,1-3H3,(H,46,51,52);3-8,19-21,23-24,29,35,47H,9-18,22H2,1-2H3,(H,48,53,54);4-7,18-22,24,28,36,45H,8-17,23H2,1-3H3,(H,46,51,52);2-9,20-21,23-24,28,34,44H,10-19,22H2,1H3,(H,45,49,50) |
| InChIKey | IUQGDMXBMXFXEX-UHFFFAOYSA-N |
| XLogP | 24.80 |
| TPSA | 444.57 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 219 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3048.74 |
| LogP ≤ 5 | 24.80 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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