About 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118322205) has the molecular formula C26H24F3N5O2S
and a molecular weight of 527.57 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 118322205 |
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| Molecular Formula | C26H24F3N5O2S |
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| Molecular Weight | 527.57 g/mol |
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| Exact Mass | 527.16 |
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| IUPAC Name | 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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| SMILES | [H]/N=S(\C)c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1 |
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| InChI | InChI=1S/C26H24F3N5O2S/c1-16-21(23-11-12-32-33(23)2)14-22(24(35)31-15-17-7-9-20(10-8-17)37(3)30)25(36)34(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30H,15H2,1-3H3,(H,31,35) |
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| InChIKey | QNHDINIBCWNQSL-UHFFFAOYSA-N |
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| XLogP | 4.86 |
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| TPSA | 92.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 527.57 |
| LogP ≤ 5 | 4.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118322205) is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is [H]/N=S(\C)c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.
What is the InChIKey of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QNHDINIBCWNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2S/c1-16-21(23-11-12-32-33(23)2)14-22(24(35)31-15-17-7-9-20(10-8-17)37(3)30)25(36)34(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30H,15H2,1-3H3,(H,31,35).
What are the key properties of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 527.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfinimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118322205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).