About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]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 58877258) has the molecular formula C24H25F4N9O2
and a molecular weight of 547.52 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
Molecular Properties
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
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| PubChem CID | 58877258 |
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| Molecular Formula | C24H25F4N9O2 |
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| Molecular Weight | 547.52 g/mol |
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| Exact Mass | 547.21 |
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| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
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| SMILES | O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCN3)c(C(F)(F)F)c2)cn1 |
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| InChI | InChI=1S/C24H25F4N9O2/c25-18-14-30-23(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/h2-5,12-14,31-32H,1,6-11H2,(H,34,38)(H,30,33,35) |
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| InChIKey | MRSSVVPHLSLVQF-UHFFFAOYSA-N |
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| XLogP | 3.08 |
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| TPSA | 119.57 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 547.52 |
| LogP ≤ 5 | 3.08 |
| H-Bond Donors ≤ 5 | 4 |
| 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-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58877258) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCN3)c(C(F)(F)F)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is MRSSVVPHLSLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N9O2/c25-18-14-30-23(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/h2-5,12-14,31-32H,1,6-11H2,(H,34,38)(H,30,33,35).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 547.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 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-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58877258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).