C167H156FN37O24 — CID 161873412
2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 161873412) has the molecular formula C167H156FN37O24 and a molecular weight of 3084.30 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.
| Compound Name | 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide |
|---|---|
| PubChem CID | 161873412 |
| Molecular Formula | C167H156FN37O24 |
| Molecular Weight | 3084.30 g/mol |
| Exact Mass | 3083.21 |
| IUPAC Name | 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC(=C(C=C1)OC)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=CC(=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.C=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)F.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)C6=CC=CC=C6 |
| InChI | InChI=1S/C31H26N6O4.C28H28N6O5.C28H26N6O4.C27H27N7O4.C27H26N6O4.C26H23FN6O3/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;1-16-7-9-22(27(36)31-16)34-15-20-18(28(34)37)5-4-6-21(20)32-25(35)14-30-24-11-12-29-26(33-24)19-13-17(38-2)8-10-23(19)39-3;1-16-6-11-23(27(37)31-16)34-15-21-20(28(34)38)4-3-5-22(21)32-25(36)14-30-24-12-13-29-26(33-24)19-9-7-18(8-10-19)17(2)35;1-16-6-11-22(25(36)30-16)34-15-20-19(26(34)37)4-3-5-21(20)32-24(35)14-29-23-12-13-28-27(33-23)31-17-7-9-18(38-2)10-8-17;1-16-9-10-22(26(35)30-16)33-15-20-19(27(33)36)7-4-8-21(20)31-24(34)14-29-23-11-12-28-25(32-23)17-5-3-6-18(13-17)37-2;1-15-5-10-21(25(35)30-15)33-14-19-18(26(33)36)3-2-4-20(19)31-23(34)13-29-22-11-12-28-24(32-22)16-6-8-17(27)9-7-16/h1-12,15-16,25H,13-14,17-18H2,(H,34,39)(H,32,33,35)(H,36,38,40);4-6,8,10-13,22H,1,7,9,14-15H2,2-3H3,(H,31,36)(H,32,35)(H,29,30,33);3-5,7-10,12-13,23H,1,6,11,14-15H2,2H3,(H,31,37)(H,32,36)(H,29,30,33);3-5,7-10,12-13,22H,1,6,11,14-15H2,2H3,(H,30,36)(H,32,35)(H2,28,29,31,33);3-8,11-13,22H,1,9-10,14-15H2,2H3,(H,30,35)(H,31,34)(H,28,29,32);2-4,6-9,11-12,21H,1,5,10,13-14H2,(H,30,35)(H,31,34)(H,28,29,32) |
| InChIKey | YBXDSDFCYQUVFP-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 781.00 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 229 |
| Complexity | 5500 |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3084.30 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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