C121H107Cl2F8N45O10 — CID 159310147
5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 159310147) has the molecular formula C121H107Cl2F8N45O10 and a molecular weight of 2574.38 g/mol. Its IUPAC name is 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 159310147 |
| Molecular Formula | C121H107Cl2F8N45O10 |
| Molecular Weight | 2574.38 g/mol |
| Exact Mass | 2571.85 |
| IUPAC Name | 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)c(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)cc2)cn1 |
| InChI | InChI=1S/C25H21F4N9O2.2C24H21ClFN9O2.2C24H22FN9O2/c26-20-13-33-24(35-22(20)38-5-7-40-8-6-38)37-36-23(39)21-4-2-17(12-32-21)34-16-1-3-18(15-10-30-14-31-11-15)19(9-16)25(27,28)29;25-18-12-15(2-4-17(18)21-27-6-1-7-28-21)31-16-3-5-20(29-13-16)23(36)33-34-24-30-14-19(26)22(32-24)35-8-10-37-11-9-35;25-19-9-16(1-3-18(19)15-10-27-14-28-11-15)31-17-2-4-21(29-12-17)23(36)33-34-24-30-13-20(26)22(32-24)35-5-7-37-8-6-35;25-19-15-29-24(31-22(19)34-10-12-36-13-11-34)33-32-23(35)20-7-6-18(14-28-20)30-17-4-2-16(3-5-17)21-26-8-1-9-27-21;25-20-14-29-24(31-22(20)34-7-9-36-10-8-34)33-32-23(35)21-6-5-19(13-28-21)30-18-3-1-16(2-4-18)17-11-26-15-27-12-17/h1-4,9-14,34H,5-8H2,(H,36,39)(H,33,35,37);1-7,12-14,31H,8-11H2,(H,33,36)(H,30,32,34);1-4,9-14,31H,5-8H2,(H,33,36)(H,30,32,34);1-9,14-15,30H,10-13H2,(H,32,35)(H,29,31,33);1-6,11-15,30H,7-10H2,(H,32,35)(H,29,31,33) |
| InChIKey | LCKVZTQQFSTAMH-UHFFFAOYSA-N |
| XLogP | 16.35 |
| TPSA | 650.40 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.38 |
| LogP ≤ 5 | 16.35 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|