About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876807) has the molecular formula C24H28FN9O3
and a molecular weight of 509.55 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide |
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| PubChem CID | 58876807 |
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| Molecular Formula | C24H28FN9O3 |
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| Molecular Weight | 509.55 g/mol |
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| Exact Mass | 509.23 |
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| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide |
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| SMILES | CC1CCN(c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1 |
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| InChI | InChI=1S/C24H28FN9O3/c1-15-4-5-34(32-15)18-10-17(11-19(35)12-18)28-16-2-3-21(26-13-16)23(36)30-31-24-27-14-20(25)22(29-24)33-6-8-37-9-7-33/h2-3,10-15,28,32,35H,4-9H2,1H3,(H,30,36)(H,27,29,31) |
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| InChIKey | KGCYBGWPBGFCOU-UHFFFAOYSA-N |
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| XLogP | 2.16 |
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| TPSA | 139.80 Ų |
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| H-Bond Donors | 5 |
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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 | 509.55 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 5 |
| 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-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide (CID 58876807) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-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-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide is CC1CCN(c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide?
The InChIKey is KGCYBGWPBGFCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN9O3/c1-15-4-5-34(32-15)18-10-17(11-19(35)12-18)28-16-2-3-21(26-13-16)23(36)30-31-24-27-14-20(25)22(29-24)33-6-8-37-9-7-33/h2-3,10-15,28,32,35H,4-9H2,1H3,(H,30,36)(H,27,29,31).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide has a molecular weight of 509.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 5 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-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).