About 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 167557666) has the molecular formula C29H26F5N3O2
and a molecular weight of 543.54 g/mol. Its IUPAC name is 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.
Molecular Properties
| Compound Name | 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one |
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| PubChem CID | 167557666 |
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| Molecular Formula | C29H26F5N3O2 |
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| Molecular Weight | 543.54 g/mol |
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| Exact Mass | 543.19 |
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| IUPAC Name | 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one |
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| SMILES | Cc1nc2cc(F)ccn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 |
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| InChI | InChI=1S/C29H26F5N3O2/c1-18-28(37-15-12-22(30)17-27(37)35-18)26(38)9-3-19-2-8-25(24(31)16-19)36-13-10-21(11-14-36)20-4-6-23(7-5-20)39-29(32,33)34/h2,4-8,12,15-17,21H,3,9-11,13-14H2,1H3 |
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| InChIKey | DFKZHTWLXLKBHK-UHFFFAOYSA-N |
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| XLogP | 7.02 |
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| TPSA | 46.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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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 | 543.54 |
| LogP ≤ 5 | 7.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 167557666) is 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is Cc1nc2cc(F)ccn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.
What is the InChIKey of 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The InChIKey is DFKZHTWLXLKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F5N3O2/c1-18-28(37-15-12-22(30)17-27(37)35-18)26(38)9-3-19-2-8-25(24(31)16-19)36-13-10-21(11-14-36)20-4-6-23(7-5-20)39-29(32,33)34/h2,4-8,12,15-17,21H,3,9-11,13-14H2,1H3.
What are the key properties of 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 543.54 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167557666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).