About N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide (PubChem CID 57377844) has the molecular formula C26H20F4N6O2S
and a molecular weight of 556.55 g/mol. Its IUPAC name is N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide.
Molecular Properties
| Compound Name | N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide |
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| PubChem CID | 57377844 |
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| Molecular Formula | C26H20F4N6O2S |
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| Molecular Weight | 556.55 g/mol |
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| Exact Mass | 556.13 |
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| IUPAC Name | N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide |
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| SMILES | O=S(=O)(c1ccc(-n2cccn2)nc1)N(Cc1ccc(C(F)(F)F)c(F)c1)c1nc2ccccn2c1C1CC1 |
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| InChI | InChI=1S/C26H20F4N6O2S/c27-21-14-17(5-9-20(21)26(28,29)30)16-36(25-24(18-6-7-18)34-12-2-1-4-23(34)33-25)39(37,38)19-8-10-22(31-15-19)35-13-3-11-32-35/h1-5,8-15,18H,6-7,16H2 |
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| InChIKey | OAVITSNHDFDEIM-UHFFFAOYSA-N |
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| XLogP | 5.35 |
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| TPSA | 85.39 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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 556.55 |
| LogP ≤ 5 | 5.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide?
The IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide (CID 57377844) is N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide is O=S(=O)(c1ccc(-n2cccn2)nc1)N(Cc1ccc(C(F)(F)F)c(F)c1)c1nc2ccccn2c1C1CC1.
What is the InChIKey of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide?
The InChIKey is OAVITSNHDFDEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O2S/c27-21-14-17(5-9-20(21)26(28,29)30)16-36(25-24(18-6-7-18)34-12-2-1-4-23(34)33-25)39(37,38)19-8-10-22(31-15-19)35-13-3-11-32-35/h1-5,8-15,18H,6-7,16H2.
What are the key properties of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide?
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide has a molecular weight of 556.55 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide is sourced from PubChem (CID 57377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).