About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide (PubChem CID 143471106) has the molecular formula C26H26FN7O3
and a molecular weight of 503.54 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide |
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| PubChem CID | 143471106 |
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| Molecular Formula | C26H26FN7O3 |
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| Molecular Weight | 503.54 g/mol |
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| Exact Mass | 503.21 |
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| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide |
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| SMILES | Cc1cc(CNc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1 |
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| InChI | InChI=1S/C26H26FN7O3/c1-17-11-18(13-19(12-17)23-3-2-8-37-23)14-28-20-4-5-22(29-15-20)25(35)32-33-26-30-16-21(27)24(31-26)34-6-9-36-10-7-34/h2-5,8,11-13,15-16,28H,6-7,9-10,14H2,1H3,(H,32,35)(H,30,31,33) |
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| InChIKey | BXHDRDPDSIEOET-UHFFFAOYSA-N |
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| XLogP | 3.78 |
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| TPSA | 117.44 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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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 | 503.54 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
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-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide (CID 143471106) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide is Cc1cc(CNc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide?
The InChIKey is BXHDRDPDSIEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-17-11-18(13-19(12-17)23-3-2-8-37-23)14-28-20-4-5-22(29-15-20)25(35)32-33-26-30-16-21(27)24(31-26)34-6-9-36-10-7-34/h2-5,8,11-13,15-16,28H,6-7,9-10,14H2,1H3,(H,32,35)(H,30,31,33).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide has a molecular weight of 503.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[[3-(furan-2-yl)-5-methylphenyl]methylamino]pyridine-2-carbohydrazide is sourced from PubChem (CID 143471106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).