C142H147Cl4N35O15 — CID 162134998
2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(piperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide (PubChem CID 162134998) has the molecular formula C142H147Cl4N35O15 and a molecular weight of 2725.78 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(piperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide.
| Compound Name | 2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(piperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide |
|---|---|
| PubChem CID | 162134998 |
| Molecular Formula | C142H147Cl4N35O15 |
| Molecular Weight | 2725.78 g/mol |
| Exact Mass | 2722.06 |
| IUPAC Name | 2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(piperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide |
| SMILES | CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4c(Cl)cccc4Cl)cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(O)ccc4Cl)cn3)cc2)CC1.Cc1c(O)cccc1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCNCC3)cc2)nc1.O=C(Nc1cnc(Nc2ccc(C(=O)N3CCCCC3)cc2)nc1)c1cc(O)ccc1Cl |
| InChI | InChI=1S/C25H28N6O2.C24H26N6O3.C24H26N6O2.C23H22Cl2N6O2.C23H23ClN6O3.C23H22ClN5O3/c1-17-5-4-6-18(2)22(17)23(32)28-21-15-26-25(27-16-21)29-20-9-7-19(8-10-20)24(33)31-13-11-30(3)12-14-31;1-16-20(4-3-5-21(16)31)22(32)27-19-14-25-24(26-15-19)28-18-8-6-17(7-9-18)23(33)30-12-10-29(2)11-13-30;1-16-4-3-5-17(2)21(16)22(31)28-20-14-26-24(27-15-20)29-19-8-6-18(7-9-19)23(32)30-12-10-25-11-13-30;1-30-9-11-31(12-10-30)22(33)15-5-7-16(8-6-15)29-23-26-13-17(14-27-23)28-21(32)20-18(24)3-2-4-19(20)25;1-29-8-10-30(11-9-29)22(33)15-2-4-16(5-3-15)28-23-25-13-17(14-26-23)27-21(32)19-12-18(31)6-7-20(19)24;24-20-9-8-18(30)12-19(20)21(31)27-17-13-25-23(26-14-17)28-16-6-4-15(5-7-16)22(32)29-10-2-1-3-11-29/h4-10,15-16H,11-14H2,1-3H3,(H,28,32)(H,26,27,29);3-9,14-15,31H,10-13H2,1-2H3,(H,27,32)(H,25,26,28);3-9,14-15,25H,10-13H2,1-2H3,(H,28,31)(H,26,27,29);2-8,13-14H,9-12H2,1H3,(H,28,32)(H,26,27,29);2-7,12-14,31H,8-11H2,1H3,(H,27,32)(H,25,26,28);4-9,12-14,30H,1-3,10-11H2,(H,27,31)(H,25,26,28) |
| InChIKey | ZJDTZKPNXHQKPX-UHFFFAOYSA-N |
| XLogP | 21.33 |
| TPSA | 609.00 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2725.78 |
| LogP ≤ 5 | 21.33 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 38 |