About 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen
5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen (PubChem CID 158110583) has the molecular formula C26H34FN5O2
and a molecular weight of 467.59 g/mol. Its IUPAC name is 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen.
Molecular Properties
| Compound Name | 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen |
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| PubChem CID | 158110583 |
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| Molecular Formula | C26H34FN5O2 |
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| Molecular Weight | 467.59 g/mol |
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| Exact Mass | 467.27 |
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| IUPAC Name | 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen |
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| SMILES | CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(N)CF)c4)no3)n2)ccc1=O.[H][H].[H][H].[H][H] |
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| InChI | InChI=1S/C26H28FN5O2.3H2/c1-4-20(5-2)32-15-19(9-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)18-8-6-7-17(11-18)21(28)13-27;;;/h6-12,14-15,20-21H,4-5,13,28H2,1-3H3;3*1H |
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| InChIKey | FQJMBKVUDWBTFO-UHFFFAOYSA-N |
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| XLogP | 6.00 |
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| TPSA | 99.83 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 467.59 |
| LogP ≤ 5 | 6.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The IUPAC name of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen (CID 158110583) is 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen.
What is the SMILES notation for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The canonical SMILES for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen is CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(N)CF)c4)no3)n2)ccc1=O.[H][H].[H][H].[H][H].
What is the InChIKey of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The InChIKey is FQJMBKVUDWBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2.3H2/c1-4-20(5-2)32-15-19(9-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)18-8-6-7-17(11-18)21(28)13-27;;;/h6-12,14-15,20-21H,4-5,13,28H2,1-3H3;3*1H.
What are the key properties of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen has a molecular weight of 467.59 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).