About N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 57377405) has the molecular formula C24H21BrF3N5O4S
and a molecular weight of 612.43 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide.
Molecular Properties
| Compound Name | N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide |
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| PubChem CID | 57377405 |
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| Molecular Formula | C24H21BrF3N5O4S |
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| Molecular Weight | 612.43 g/mol |
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| Exact Mass | 611.04 |
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| IUPAC Name | N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide |
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| SMILES | O=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br |
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| InChI | InChI=1S/C24H21BrF3N5O4S/c25-22-23(30-21-3-1-2-10-32(21)22)33(16-17-4-6-18(7-5-17)37-24(26,27)28)38(34,35)19-8-9-20(29-15-19)31-11-13-36-14-12-31/h1-10,15H,11-14,16H2 |
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| InChIKey | MXOPAGPILSMITL-UHFFFAOYSA-N |
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| XLogP | 4.62 |
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| TPSA | 89.27 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 612.43 |
| LogP ≤ 5 | 4.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide (CID 57377405) is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide is O=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is MXOPAGPILSMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrF3N5O4S/c25-22-23(30-21-3-1-2-10-32(21)22)33(16-17-4-6-18(7-5-17)37-24(26,27)28)38(34,35)19-8-9-20(29-15-19)31-11-13-36-14-12-31/h1-10,15H,11-14,16H2.
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 612.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 57377405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).