About 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine (PubChem CID 171762881) has the molecular formula C26H25FN8O2
and a molecular weight of 500.54 g/mol. Its IUPAC name is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine.
Molecular Properties
| Compound Name | 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine |
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| PubChem CID | 171762881 |
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| Molecular Formula | C26H25FN8O2 |
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| Molecular Weight | 500.54 g/mol |
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| Exact Mass | 500.21 |
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| IUPAC Name | 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine |
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| SMILES | COc1ncnc(C2CC2)c1-c1nc(OC)c2cnn(Cc3ccc(-n4nc(CF)cc4C)cc3)c2n1 |
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| InChI | InChI=1S/C26H25FN8O2/c1-15-10-18(11-27)33-35(15)19-8-4-16(5-9-19)13-34-24-20(12-30-34)25(36-2)32-23(31-24)21-22(17-6-7-17)28-14-29-26(21)37-3/h4-5,8-10,12,14,17H,6-7,11,13H2,1-3H3 |
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| InChIKey | FERYZWTZEOGRIH-UHFFFAOYSA-N |
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| XLogP | 4.19 |
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| TPSA | 105.66 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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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 | 500.54 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine (CID 171762881) is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine is COc1ncnc(C2CC2)c1-c1nc(OC)c2cnn(Cc3ccc(-n4nc(CF)cc4C)cc3)c2n1.
What is the InChIKey of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The InChIKey is FERYZWTZEOGRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O2/c1-15-10-18(11-27)33-35(15)19-8-4-16(5-9-19)13-34-24-20(12-30-34)25(36-2)32-23(31-24)21-22(17-6-7-17)28-14-29-26(21)37-3/h4-5,8-10,12,14,17H,6-7,11,13H2,1-3H3.
What are the key properties of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine has a molecular weight of 500.54 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(fluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-4-methoxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 171762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).