About 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 150616572) has the molecular formula C23H19F3N8O
and a molecular weight of 480.45 g/mol. Its IUPAC name is 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
Molecular Properties
| Compound Name | 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
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| PubChem CID | 150616572 |
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| Molecular Formula | C23H19F3N8O |
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| Molecular Weight | 480.45 g/mol |
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| Exact Mass | 480.16 |
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| IUPAC Name | 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
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| SMILES | COc1ncnc(C)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1 |
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| InChI | InChI=1S/C23H19F3N8O/c1-13-8-18(23(24,25)26)32-34(13)17-6-4-15(5-7-17)11-33-21-16(10-30-33)9-27-20(31-21)19-14(2)28-12-29-22(19)35-3/h4-10,12H,11H2,1-3H3 |
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| InChIKey | IUZXQHLGSZGDFE-UHFFFAOYSA-N |
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| XLogP | 4.16 |
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| TPSA | 96.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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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 | 480.45 |
| LogP ≤ 5 | 4.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 150616572) is 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is COc1ncnc(C)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1.
What is the InChIKey of 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is IUZXQHLGSZGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8O/c1-13-8-18(23(24,25)26)32-34(13)17-6-4-15(5-7-17)11-33-21-16(10-30-33)9-27-20(31-21)19-14(2)28-12-29-22(19)35-3/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 480.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 150616572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).