C159H176Cl5F5N28O20 — CID 165040181
1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 165040181) has the molecular formula C159H176Cl5F5N28O20 and a molecular weight of 3071.59 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide.
| Compound Name | 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide |
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| PubChem CID | 165040181 |
| Molecular Formula | C159H176Cl5F5N28O20 |
| Molecular Weight | 3071.59 g/mol |
| Exact Mass | 3067.20 |
| IUPAC Name | 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide |
| SMILES | CN(C(=O)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2Cl)CC1)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4cnccc34)cc2OC(F)(F)F)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(NC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1 |
| InChI | InChI=1S/C40H45Cl2N7O5.C40H43ClF3N7O5.C40H45ClFN7O5.C39H43ClFN7O5/c1-46-22-30(28-8-13-43-21-29(28)40(46)53)25-18-32(41)31(36(19-25)54-3)23-48-14-11-27(12-15-48)47(2)39(52)24-9-16-49(17-10-24)35-6-4-26(20-33(35)42)44-34-5-7-37(50)45-38(34)51;1-48-23-31(29-9-14-45-21-30(29)39(48)55)25-3-4-26(35(19-25)56-40(42,43)44)22-50-15-12-28(13-16-50)49(2)38(54)24-10-17-51(18-11-24)34-7-5-27(20-32(34)41)46-33-6-8-36(52)47-37(33)53;1-46-22-30(28-8-13-43-21-29(28)40(46)53)25-18-33(42)31(36(19-25)54-3)23-48-14-11-27(12-15-48)47(2)39(52)24-9-16-49(17-10-24)35-6-4-26(20-32(35)41)44-34-5-7-37(50)45-38(34)51;1-46-21-29(27-7-12-42-20-28(27)39(46)52)24-17-32(41)30(35(18-24)53-2)22-47-13-10-25(11-14-47)44-37(50)23-8-15-48(16-9-23)34-5-3-26(19-31(34)40)43-33-4-6-36(49)45-38(33)51/h4,6,8,13,18-22,24,27,34,44H,5,7,9-12,14-17,23H2,1-3H3,(H,45,50,51);3-5,7,9,14,19-21,23-24,28,33,46H,6,8,10-13,15-18,22H2,1-2H3,(H,47,52,53);4,6,8,13,18-22,24,27,34,44H,5,7,9-12,14-17,23H2,1-3H3,(H,45,50,51);3,5,7,12,17-21,23,25,33,43H,4,6,8-11,13-16,22H2,1-2H3,(H,44,50)(H,45,49,51) |
| InChIKey | NZNZHSOEBOFDJS-UHFFFAOYSA-N |
| XLogP | 20.76 |
| TPSA | 525.23 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3071.59 |
| LogP ≤ 5 | 20.76 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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