About 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine
4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine (PubChem CID 19916333) has the molecular formula C24H18F5N7O
and a molecular weight of 515.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine.
Molecular Properties
| Compound Name | 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine |
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| PubChem CID | 19916333 |
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| Molecular Formula | C24H18F5N7O |
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| Molecular Weight | 515.45 g/mol |
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| Exact Mass | 515.15 |
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| IUPAC Name | 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine |
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| SMILES | COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c4c(C(F)F)cc(-c5ccn(C)n5)nc43)n2)cc1 |
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| InChI | InChI=1S/C24H18F5N7O/c1-12-20-15(21(25)26)10-18(16-8-9-35(2)34-16)30-22(20)36(33-12)23-31-17(11-19(32-23)24(27,28)29)13-4-6-14(37-3)7-5-13/h4-11,21H,1-3H3 |
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| InChIKey | YPWCTDVMSYLYJT-UHFFFAOYSA-N |
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| XLogP | 5.55 |
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| TPSA | 83.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 515.45 |
| LogP ≤ 5 | 5.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine (CID 19916333) is 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c4c(C(F)F)cc(-c5ccn(C)n5)nc43)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is YPWCTDVMSYLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N7O/c1-12-20-15(21(25)26)10-18(16-8-9-35(2)34-16)30-22(20)36(33-12)23-31-17(11-19(32-23)24(27,28)29)13-4-6-14(37-3)7-5-13/h4-11,21H,1-3H3.
What are the key properties of 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 515.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19916333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).