C132H138Cl2N28O10 — CID 157143852
5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 157143852) has the molecular formula C132H138Cl2N28O10 and a molecular weight of 2347.65 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
| Compound Name | 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide |
|---|---|
| PubChem CID | 157143852 |
| Molecular Formula | C132H138Cl2N28O10 |
| Molecular Weight | 2347.65 g/mol |
| Exact Mass | 2345.05 |
| IUPAC Name | 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide |
| SMILES | Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(Cl)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(O)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(Cl)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(O)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1 |
| InChI | InChI=1S/2C33H34ClN7O2.2C33H35N7O3/c1-21-5-12-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-9-25(34)10-7-23)18-28(21)32(42)36-26-11-8-24(22(2)17-26)19-41-15-13-39(3)14-16-41;1-21-8-11-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-5-7-25(34)17-23)18-28(21)32(42)36-26-10-9-24(22(2)16-26)19-41-14-12-39(3)13-15-41;1-21-5-12-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-7-10-26(41)11-8-23)18-28(21)32(42)35-25-9-6-24(22(2)17-25)19-40-15-13-38(3)14-16-40;1-21-8-11-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-6-5-7-26(41)17-23)18-28(21)32(42)35-25-10-9-24(22(2)16-25)19-40-14-12-38(3)13-15-40/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,36,42);5-11,16-18,20H,12-15,19H2,1-4H3,(H,36,42);5-12,17-18,20,41H,13-16,19H2,1-4H3,(H,35,42);5-11,16-18,20,41H,12-15,19H2,1-4H3,(H,35,42) |
| InChIKey | AKMISVOJYKFIJO-UHFFFAOYSA-N |
| XLogP | 22.47 |
| TPSA | 394.10 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2347.65 |
| LogP ≤ 5 | 22.47 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 34 |