About [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
[2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118940710) has the molecular formula C24H20F4N4O2
and a molecular weight of 472.44 g/mol. Its IUPAC name is [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
Molecular Properties
| Compound Name | [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone |
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| PubChem CID | 118940710 |
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| Molecular Formula | C24H20F4N4O2 |
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| Molecular Weight | 472.44 g/mol |
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| Exact Mass | 472.15 |
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| IUPAC Name | [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone |
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| SMILES | CC1C2CC(Oc3ccc(C(F)(F)F)cn3)C(C2)N1C(=O)c1ccccc1-c1cnc(F)cn1 |
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| InChI | InChI=1S/C24H20F4N4O2/c1-13-14-8-19(20(9-14)34-22-7-6-15(10-31-22)24(26,27)28)32(13)23(33)17-5-3-2-4-16(17)18-11-30-21(25)12-29-18/h2-7,10-14,19-20H,8-9H2,1H3 |
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| InChIKey | XSFDXOLJFZAAKB-UHFFFAOYSA-N |
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| XLogP | 4.77 |
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| TPSA | 68.21 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 472.44 |
| LogP ≤ 5 | 4.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118940710) is [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is CC1C2CC(Oc3ccc(C(F)(F)F)cn3)C(C2)N1C(=O)c1ccccc1-c1cnc(F)cn1.
What is the InChIKey of [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is XSFDXOLJFZAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-13-14-8-19(20(9-14)34-22-7-6-15(10-31-22)24(26,27)28)32(13)23(33)17-5-3-2-4-16(17)18-11-30-21(25)12-29-18/h2-7,10-14,19-20H,8-9H2,1H3.
What are the key properties of [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 472.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrazin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118940710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).