About [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone
[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone (PubChem CID 141490176) has the molecular formula C24H27N5O2
and a molecular weight of 417.51 g/mol. Its IUPAC name is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone.
Molecular Properties
| Compound Name | [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone |
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| PubChem CID | 141490176 |
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| Molecular Formula | C24H27N5O2 |
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| Molecular Weight | 417.51 g/mol |
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| Exact Mass | 417.22 |
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| IUPAC Name | [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone |
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| SMILES | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cc(C)[nH]n2)n1 |
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| InChI | InChI=1S/C24H27N5O2/c1-14-10-15(2)26-24(25-14)31-13-17-12-18-8-9-22(17)29(18)23(30)20-7-5-4-6-19(20)21-11-16(3)27-28-21/h4-7,10-11,17-18,22H,8-9,12-13H2,1-3H3,(H,27,28) |
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| InChIKey | MZYPVWLSQJCXLZ-UHFFFAOYSA-N |
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| XLogP | 3.86 |
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| TPSA | 84.00 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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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 | 417.51 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone (CID 141490176) is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The canonical SMILES for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone is Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cc(C)[nH]n2)n1.
What is the InChIKey of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The InChIKey is MZYPVWLSQJCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-10-15(2)26-24(25-14)31-13-17-12-18-8-9-22(17)29(18)23(30)20-7-5-4-6-19(20)21-11-16(3)27-28-21/h4-7,10-11,17-18,22H,8-9,12-13H2,1-3H3,(H,27,28).
What are the key properties of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 141490176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).