C67H64Cl2N22O9S4 — CID 172941319
2-chloro-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 172941319) has the molecular formula C67H64Cl2N22O9S4 and a molecular weight of 1520.57 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide.
| Compound Name | 2-chloro-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide |
|---|---|
| PubChem CID | 172941319 |
| Molecular Formula | C67H64Cl2N22O9S4 |
| Molecular Weight | 1520.57 g/mol |
| Exact Mass | 1518.35 |
| IUPAC Name | 2-chloro-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide |
| SMILES | Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)Nc4ccncc4)cc3n2)c1.NNc1nc(N2CCOCC2)c2sc(C(=O)Nc3ccncc3)cc2n1.O=C(Nc1ccncc1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1 |
| InChI | InChI=1S/C24H23N7O2S.C16H14ClN5O2S.C16H17N7O2S.C11H10ClN3O3S/c1-16-3-2-4-17(13-16)15-26-30-24-28-19-14-20(23(32)27-18-5-7-25-8-6-18)34-21(19)22(29-24)31-9-11-33-12-10-31;17-16-20-11-9-12(15(23)19-10-1-3-18-4-2-10)25-13(11)14(21-16)22-5-7-24-8-6-22;17-22-16-20-11-9-12(15(24)19-10-1-3-18-4-2-10)26-13(11)14(21-16)23-5-7-25-8-6-23;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15/h2-8,13-15H,9-12H2,1H3,(H,25,27,32)(H,28,29,30);1-4,9H,5-8H2,(H,18,19,23);1-4,9H,5-8,17H2,(H,18,19,24)(H,20,21,22);5H,1-4H2,(H,16,17)/b26-15+;;; |
| InChIKey | ZKKUXOOVYWRMSD-FGKDPREUSA-N |
| XLogP | 10.10 |
| TPSA | 378.71 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 104 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1520.57 |
| LogP ≤ 5 | 10.10 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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