C126H147ClF8N44O12 — CID 157248235
5-(3-chloro-5-piperidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 157248235) has the molecular formula C126H147ClF8N44O12 and a molecular weight of 2657.29 g/mol. Its IUPAC name is 5-(3-chloro-5-piperidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | 5-(3-chloro-5-piperidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 157248235 |
| Molecular Formula | C126H147ClF8N44O12 |
| Molecular Weight | 2657.29 g/mol |
| Exact Mass | 2655.18 |
| IUPAC Name | 5-(3-chloro-5-piperidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N2CCN(CCO)CC2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(N3CCCCC3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCCN3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCN3)c(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(N3CCN(CCO)CC3)c2)cn1 |
| InChI | InChI=1S/C27H34FN9O3.C26H32FN9O3.C25H28ClFN8O2.C24H25F4N9O2.C24H28FN9O2/c1-19-14-21(16-22(15-19)36-6-4-35(5-7-36)8-11-38)31-20-2-3-24(29-17-20)26(39)33-34-27-30-18-23(28)25(32-27)37-9-12-40-13-10-37;27-22-18-29-26(31-24(22)36-11-14-39-15-12-36)33-32-25(38)23-5-4-20(17-28-23)30-19-2-1-3-21(16-19)35-8-6-34(7-9-35)10-13-37;26-17-12-19(14-20(13-17)34-6-2-1-3-7-34)30-18-4-5-22(28-15-18)24(36)32-33-25-29-16-21(27)23(31-25)35-8-10-37-11-9-35;25-18-14-30-23(33-21(18)36-8-10-39-11-9-36)35-34-22(38)19-4-2-16(13-29-19)32-15-3-5-20(37-7-1-6-31-37)17(12-15)24(26,27)28;25-20-16-27-24(30-22(20)33-11-13-36-14-12-33)32-31-23(35)21-8-5-18(15-26-21)29-17-3-6-19(7-4-17)34-10-2-1-9-28-34/h2-3,14-18,31,38H,4-13H2,1H3,(H,33,39)(H,30,32,34);1-5,16-18,30,37H,6-15H2,(H,32,38)(H,29,31,33);4-5,12-16,30H,1-3,6-11H2,(H,32,36)(H,29,31,33);2-5,12-14,31-32H,1,6-11H2,(H,34,38)(H,30,33,35);3-8,15-16,28-29H,1-2,9-14H2,(H,31,35)(H,27,30,32) |
| InChIKey | AWAOSYDFARVVPD-UHFFFAOYSA-N |
| XLogP | 12.76 |
| TPSA | 608.70 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2657.29 |
| LogP ≤ 5 | 12.76 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 51 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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