About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876701) has the molecular formula C24H24FN9O3
and a molecular weight of 505.51 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide |
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| PubChem CID | 58876701 |
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| Molecular Formula | C24H24FN9O3 |
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| Molecular Weight | 505.51 g/mol |
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| Exact Mass | 505.20 |
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| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide |
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| SMILES | Cc1cn(-c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1 |
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| InChI | InChI=1S/C24H24FN9O3/c1-15-13-34(14-28-15)18-8-17(9-19(35)10-18)29-16-2-3-21(26-11-16)23(36)31-32-24-27-12-20(25)22(30-24)33-4-6-37-7-5-33/h2-3,8-14,29,35H,4-7H2,1H3,(H,31,36)(H,27,30,32) |
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| InChIKey | RDMPOCNCBGSJQN-UHFFFAOYSA-N |
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| XLogP | 2.55 |
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| TPSA | 142.35 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 505.51 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide (CID 58876701) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide is Cc1cn(-c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The InChIKey is RDMPOCNCBGSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O3/c1-15-13-34(14-28-15)18-8-17(9-19(35)10-18)29-16-2-3-21(26-11-16)23(36)31-32-24-27-12-20(25)22(30-24)33-4-6-37-7-5-33/h2-3,8-14,29,35H,4-7H2,1H3,(H,31,36)(H,27,30,32).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide has a molecular weight of 505.51 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).