C64H61Cl5F7N20O8P — CID 158982357
azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate (PubChem CID 158982357) has the molecular formula C64H61Cl5F7N20O8P and a molecular weight of 1579.55 g/mol. Its IUPAC name is azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate.
| Compound Name | azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate |
|---|---|
| PubChem CID | 158982357 |
| Molecular Formula | C64H61Cl5F7N20O8P |
| Molecular Weight | 1579.55 g/mol |
| Exact Mass | 1576.30 |
| IUPAC Name | azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate |
| SMILES | COC(=O)C(F)C(=O)OC.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1nc(Cl)c(F)c(Cl)n1.Cc1nc2ccccn2c1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1nc(O)c(F)c(=O)[nH]1.N.O.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1c(C)nc2ccccn12 |
| InChI | InChI=1S/C19H14F4N6.C12H7Cl2FN4.C12H9FN4O2.C9H10N4.C7H9N.C5H7FO4.Cl3OP.H3N.H2O/c1-10-15(29-9-3-2-4-13(29)25-10)18-27-16(24)14(20)17(28-18)26-12-7-5-11(6-8-12)19(21,22)23;1-6-9(19-5-3-2-4-7(19)16-6)12-17-10(13)8(15)11(14)18-12;1-6-9(17-5-3-2-4-7(17)14-6)10-15-11(18)8(13)12(19)16-10;1-6-8(9(10)11)13-5-3-2-4-7(13)12-6;1-6-2-4-7(8)5-3-6;1-9-4(7)3(6)5(8)10-2;1-5(2,3)4;;/h2-9H,1H3,(H3,24,26,27,28);2-5H,1H3;2-5H,1H3,(H2,15,16,18,19);2-5H,1H3,(H3,10,11);2-5H,8H2,1H3;3H,1-2H3;;1H3;1H2 |
| InChIKey | VILUVVPAZFBKMC-UHFFFAOYSA-N |
| XLogP | 13.69 |
| TPSA | 436.85 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 105 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1579.55 |
| LogP ≤ 5 | 13.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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