About N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide
N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide (PubChem CID 155172182) has the molecular formula C21H24F3N5O3S2
and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide.
Molecular Properties
| Compound Name | N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide |
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| PubChem CID | 155172182 |
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| Molecular Formula | C21H24F3N5O3S2 |
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| Molecular Weight | 515.58 g/mol |
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| Exact Mass | 515.13 |
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| IUPAC Name | N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide |
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| SMILES | CCn1c(C(F)(F)F)cc2nc(-c3ncc(N(C)S(=O)C4CC4)cc3S(=O)CC)n(C)c2c1=O |
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| InChI | InChI=1S/C21H24F3N5O3S2/c1-5-29-16(21(22,23)24)10-14-18(20(29)30)27(3)19(26-14)17-15(33(31)6-2)9-12(11-25-17)28(4)34(32)13-7-8-13/h9-11,13H,5-8H2,1-4H3 |
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| InChIKey | ZFVJXBBACFDWFF-UHFFFAOYSA-N |
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| XLogP | 3.23 |
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| TPSA | 90.09 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 515.58 |
| LogP ≤ 5 | 3.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide?
The IUPAC name of N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide (CID 155172182) is N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide.
What is the SMILES notation for N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide?
The canonical SMILES for N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide is CCn1c(C(F)(F)F)cc2nc(-c3ncc(N(C)S(=O)C4CC4)cc3S(=O)CC)n(C)c2c1=O.
What is the InChIKey of N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide?
The InChIKey is ZFVJXBBACFDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3S2/c1-5-29-16(21(22,23)24)10-14-18(20(29)30)27(3)19(26-14)17-15(33(31)6-2)9-12(11-25-17)28(4)34(32)13-7-8-13/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide?
N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide has a molecular weight of 515.58 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide is sourced from PubChem (CID 155172182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).