About 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 118194522) has the molecular formula C23H27F3N4O2
and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
Molecular Properties
| Compound Name | 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one |
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| PubChem CID | 118194522 |
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| Molecular Formula | C23H27F3N4O2 |
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| Molecular Weight | 448.49 g/mol |
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| Exact Mass | 448.21 |
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| IUPAC Name | 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one |
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| SMILES | CC1(C(F)(F)F)Cn2c(nc(N3CC4CCC(C3)O4)cc2=O)N1CCCc1ccccc1 |
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| InChI | InChI=1S/C23H27F3N4O2/c1-22(23(24,25)26)15-29-20(31)12-19(28-13-17-9-10-18(14-28)32-17)27-21(29)30(22)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-15H2,1H3 |
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| InChIKey | MUAAMJGHBOMLCC-UHFFFAOYSA-N |
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| XLogP | 3.38 |
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| TPSA | 50.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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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 | 448.49 |
| LogP ≤ 5 | 3.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 118194522) is 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is CC1(C(F)(F)F)Cn2c(nc(N3CC4CCC(C3)O4)cc2=O)N1CCCc1ccccc1.
What is the InChIKey of 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is MUAAMJGHBOMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-22(23(24,25)26)15-29-20(31)12-19(28-13-17-9-10-18(14-28)32-17)27-21(29)30(22)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-15H2,1H3.
What are the key properties of 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 448.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118194522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).