About N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide
N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 57377521) has the molecular formula C26H24ClF4N5O3S
and a molecular weight of 598.02 g/mol. Its IUPAC name is N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide.
Molecular Properties
| Compound Name | N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide |
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| PubChem CID | 57377521 |
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| Molecular Formula | C26H24ClF4N5O3S |
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| Molecular Weight | 598.02 g/mol |
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| Exact Mass | 597.12 |
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| IUPAC Name | N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide |
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| SMILES | CCc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccc(N3CCOCC3)nc2)nc2ccc(Cl)cn12 |
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| InChI | InChI=1S/C26H24ClF4N5O3S/c1-2-22-25(33-24-7-4-18(27)16-35(22)24)36(15-17-3-6-20(21(28)13-17)26(29,30)31)40(37,38)19-5-8-23(32-14-19)34-9-11-39-12-10-34/h3-8,13-14,16H,2,9-12,15H2,1H3 |
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| InChIKey | MNCHVRFWIXJXON-UHFFFAOYSA-N |
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| XLogP | 5.34 |
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| TPSA | 80.04 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 | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 598.02 |
| LogP ≤ 5 | 5.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide (CID 57377521) is N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide is CCc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccc(N3CCOCC3)nc2)nc2ccc(Cl)cn12.
What is the InChIKey of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is MNCHVRFWIXJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF4N5O3S/c1-2-22-25(33-24-7-4-18(27)16-35(22)24)36(15-17-3-6-20(21(28)13-17)26(29,30)31)40(37,38)19-5-8-23(32-14-19)34-9-11-39-12-10-34/h3-8,13-14,16H,2,9-12,15H2,1H3.
What are the key properties of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 598.02 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 57377521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).