C182H215N35O19 — CID 160613721
4-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclohexylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[1-[1-[2-(4-phenylcyclohexyl)acetyl]piperidin-4-yl]pyrazol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 160613721) has the molecular formula C182H215N35O19 and a molecular weight of 3196.95 g/mol. Its IUPAC name is 4-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclohexylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[1-[1-[2-(4-phenylcyclohexyl)acetyl]piperidin-4-yl]pyrazol-4-yl]ethyl]isoindole-1,3-dione.
| Compound Name | 4-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclohexylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[1-[1-[2-(4-phenylcyclohexyl)acetyl]piperidin-4-yl]pyrazol-4-yl]ethyl]isoindole-1,3-dione |
|---|---|
| PubChem CID | 160613721 |
| Molecular Formula | C182H215N35O19 |
| Molecular Weight | 3196.95 g/mol |
| Exact Mass | 3194.69 |
| IUPAC Name | 4-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclohexylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[1-[1-[2-(4-phenylcyclohexyl)acetyl]piperidin-4-yl]pyrazol-4-yl]ethyl]isoindole-1,3-dione |
| SMILES | C=C1CCC(N2C(=O)c3cccc(CCc4cnn(C5CCN(C(=O)CC6CCC(c7ccccc7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(Cc6ccccc6)CC5)c4)c3C2=O)C(=O)N1 |
| InChI | InChI=1S/C38H43N5O4.C30H38N6O3.C30H32N6O3.C29H36N6O3.C28H34N6O3.C27H32N6O3/c1-25-10-17-33(36(45)40-25)43-37(46)32-9-5-8-30(35(32)38(43)47)16-13-27-23-39-42(24-27)31-18-20-41(21-19-31)34(44)22-26-11-14-29(15-12-26)28-6-3-2-4-7-28;2*1-20-10-11-26(28(37)33-20)36-29(38)24-8-5-9-25(27(24)30(36)39)31-16-22-17-32-35(19-22)23-12-14-34(15-13-23)18-21-6-3-2-4-7-21;1-19-9-10-25(27(36)32-19)35-28(37)23-7-4-8-24(26(23)29(35)38)30-15-21-16-31-34(18-21)22-11-13-33(14-12-22)17-20-5-2-3-6-20;1-18-8-9-24(26(35)31-18)34-27(36)22-6-3-7-23(25(22)28(34)37)29-14-20-15-30-33(17-20)21-10-12-32(13-11-21)16-19-4-2-5-19;1-17-8-9-23(25(34)30-17)33-26(35)21-6-3-7-22(24(21)27(33)36)28-14-18-15-29-32(16-18)20-10-12-31(13-11-20)19-4-2-5-19/h2-9,23-24,26,29,31,33H,1,10-22H2,(H,40,45);5,8-9,17,19,21,23,26,31H,1-4,6-7,10-16,18H2,(H,33,37);2-9,17,19,23,26,31H,1,10-16,18H2,(H,33,37);4,7-8,16,18,20,22,25,30H,1-3,5-6,9-15,17H2,(H,32,36);3,6-7,15,17,19,21,24,29H,1-2,4-5,8-14,16H2,(H,31,35);3,6-7,15-16,19-20,23,28H,1-2,4-5,8-14H2,(H,30,34) |
| InChIKey | RFUUJMKMEYOWEB-UHFFFAOYSA-N |
| XLogP | 23.51 |
| TPSA | 602.46 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 236 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3196.95 |
| LogP ≤ 5 | 23.51 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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