About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide (PubChem CID 58876851) has the molecular formula C25H24FN9O2
and a molecular weight of 501.53 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide |
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| PubChem CID | 58876851 |
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| Molecular Formula | C25H24FN9O2 |
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| Molecular Weight | 501.53 g/mol |
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| Exact Mass | 501.20 |
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| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide |
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| SMILES | Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1ccnnc1 |
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| InChI | InChI=1S/C25H24FN9O2/c1-16-12-18(2-4-20(16)17-6-7-29-30-13-17)31-19-3-5-22(27-14-19)24(36)33-34-25-28-15-21(26)23(32-25)35-8-10-37-11-9-35/h2-7,12-15,31H,8-11H2,1H3,(H,33,36)(H,28,32,34) |
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| InChIKey | ONXOKYXLXUOIOK-UHFFFAOYSA-N |
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| XLogP | 3.11 |
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| TPSA | 130.08 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 10 |
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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
1 violation
| Rule | Value |
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| MW ≤ 500 | 501.53 |
| LogP ≤ 5 | 3.11 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
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-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide (CID 58876851) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide is Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1ccnnc1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The InChIKey is ONXOKYXLXUOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O2/c1-16-12-18(2-4-20(16)17-6-7-29-30-13-17)31-19-3-5-22(27-14-19)24(36)33-34-25-28-15-21(26)23(32-25)35-8-10-37-11-9-35/h2-7,12-15,31H,8-11H2,1H3,(H,33,36)(H,28,32,34).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide has a molecular weight of 501.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).