C162H146FN37O29 — CID 161439177
2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 161439177) has the molecular formula C162H146FN37O29 and a molecular weight of 3094.18 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide.
| Compound Name | 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide |
|---|---|
| PubChem CID | 161439177 |
| Molecular Formula | C162H146FN37O29 |
| Molecular Weight | 3094.18 g/mol |
| Exact Mass | 3092.11 |
| IUPAC Name | 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide |
| SMILES | CC(=O)c1ccc(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)cc1.COc1ccc(Nc2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)cc1.COc1ccc(OC)c(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1.COc1cccc(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1.O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(-c5ccc(-c6ccccc6)cc5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(-c5ccc(F)cc5)n4)cccc3C2=O)C(=O)N1 |
| InChI | InChI=1S/C31H26N6O4.C27H26N6O6.C27H24N6O5.C26H25N7O5.C26H24N6O5.C25H21FN6O4/c38-27-14-13-25(30(40)36-27)37-18-23-22(31(37)41)7-4-8-24(23)34-28(39)17-33-26-15-16-32-29(35-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-38-15-6-8-21(39-2)17(12-15)25-28-11-10-22(31-25)29-13-24(35)30-19-5-3-4-16-18(19)14-33(27(16)37)20-7-9-23(34)32-26(20)36;1-15(34)16-5-7-17(8-6-16)25-28-12-11-22(31-25)29-13-24(36)30-20-4-2-3-18-19(20)14-33(27(18)38)21-9-10-23(35)32-26(21)37;1-38-16-7-5-15(6-8-16)29-26-27-12-11-21(31-26)28-13-23(35)30-19-4-2-3-17-18(19)14-33(25(17)37)20-9-10-22(34)32-24(20)36;1-37-16-5-2-4-15(12-16)24-27-11-10-21(30-24)28-13-23(34)29-19-7-3-6-17-18(19)14-32(26(17)36)20-8-9-22(33)31-25(20)35;26-15-6-4-14(5-7-15)23-27-11-10-20(30-23)28-12-22(34)29-18-3-1-2-16-17(18)13-32(25(16)36)19-8-9-21(33)31-24(19)35/h1-12,15-16,25H,13-14,17-18H2,(H,34,39)(H,32,33,35)(H,36,38,40);3-6,8,10-12,20H,7,9,13-14H2,1-2H3,(H,30,35)(H,28,29,31)(H,32,34,36);2-8,11-12,21H,9-10,13-14H2,1H3,(H,30,36)(H,28,29,31)(H,32,35,37);2-8,11-12,20H,9-10,13-14H2,1H3,(H,30,35)(H,32,34,36)(H2,27,28,29,31);2-7,10-12,20H,8-9,13-14H2,1H3,(H,29,34)(H,27,28,30)(H,31,33,35);1-7,10-11,19H,8-9,12-13H2,(H,29,34)(H,27,28,30)(H,31,33,35) |
| InChIKey | VZAVCWDUYKSUNQ-UHFFFAOYSA-N |
| XLogP | 13.85 |
| TPSA | 866.36 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3094.18 |
| LogP ≤ 5 | 13.85 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|