About 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 71151106) has the molecular formula C28H34FN5O3
and a molecular weight of 507.61 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine.
Molecular Properties
| Compound Name | 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine |
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| PubChem CID | 71151106 |
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| Molecular Formula | C28H34FN5O3 |
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| Molecular Weight | 507.61 g/mol |
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| Exact Mass | 507.26 |
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| IUPAC Name | 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine |
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| SMILES | COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(N6CCOCC6)nc5)(CC3)CO4)c2n1 |
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| InChI | InChI=1S/C28H34FN5O3/c1-35-25-5-3-23-26(33-25)21(22(29)18-30-23)6-7-28-10-8-27(9-11-28,19-37-28)32-17-20-2-4-24(31-16-20)34-12-14-36-15-13-34/h2-5,16,18,32H,6-15,17,19H2,1H3 |
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| InChIKey | WGJFYZOXANOKBW-UHFFFAOYSA-N |
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| XLogP | 3.81 |
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| TPSA | 81.63 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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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 | 507.61 |
| LogP ≤ 5 | 3.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (CID 71151106) is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(N6CCOCC6)nc5)(CC3)CO4)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is WGJFYZOXANOKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3/c1-35-25-5-3-23-26(33-25)21(22(29)18-30-23)6-7-28-10-8-27(9-11-28,19-37-28)32-17-20-2-4-24(31-16-20)34-12-14-36-15-13-34/h2-5,16,18,32H,6-15,17,19H2,1H3.
What are the key properties of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 507.61 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 71151106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).