About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 46864757) has the molecular formula C23H16ClF5N4O2
and a molecular weight of 510.85 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone |
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| PubChem CID | 46864757 |
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| Molecular Formula | C23H16ClF5N4O2 |
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| Molecular Weight | 510.85 g/mol |
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| Exact Mass | 510.09 |
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| IUPAC Name | [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone |
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| SMILES | O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1 |
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| InChI | InChI=1S/C23H16ClF5N4O2/c24-19-17(21(34)32-7-4-22(26,5-8-32)18-16(25)2-1-6-30-18)31-20-15(23(27,28)29)10-14(11-33(19)20)13-3-9-35-12-13/h1-3,6,9-12H,4-5,7-8H2 |
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| InChIKey | PBJCQVAXADSTQC-UHFFFAOYSA-N |
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| XLogP | 5.90 |
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| TPSA | 63.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 510.85 |
| LogP ≤ 5 | 5.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone (CID 46864757) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is PBJCQVAXADSTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF5N4O2/c24-19-17(21(34)32-7-4-22(26,5-8-32)18-16(25)2-1-6-30-18)31-20-15(23(27,28)29)10-14(11-33(19)20)13-3-9-35-12-13/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 510.85 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46864757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).