About 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one
1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one (PubChem CID 149146979) has the molecular formula C29H18F2N4O3S
and a molecular weight of 540.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one.
Molecular Properties
| Compound Name | 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one |
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| PubChem CID | 149146979 |
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| Molecular Formula | C29H18F2N4O3S |
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| Molecular Weight | 540.55 g/mol |
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| Exact Mass | 540.11 |
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| IUPAC Name | 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one |
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| SMILES | O=C(Cc1ccc(Oc2cc(-c3cscn3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O |
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| InChI | InChI=1S/C29H18F2N4O3S/c30-20-4-6-21(7-5-20)34-11-1-2-22(29(34)37)26(36)13-18-3-8-27(23(31)12-18)38-28-14-19(24-16-39-17-32-24)15-35-25(28)9-10-33-35/h1-12,14-17H,13H2 |
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| InChIKey | RKRFFRIBQWIKAE-UHFFFAOYSA-N |
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| XLogP | 6.10 |
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| TPSA | 78.49 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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 540.55 |
| LogP ≤ 5 | 6.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one (CID 149146979) is 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one is O=C(Cc1ccc(Oc2cc(-c3cscn3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one?
The InChIKey is RKRFFRIBQWIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F2N4O3S/c30-20-4-6-21(7-5-20)34-11-1-2-22(29(34)37)26(36)13-18-3-8-27(23(31)12-18)38-28-14-19(24-16-39-17-32-24)15-35-25(28)9-10-33-35/h1-12,14-17H,13H2.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one?
1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one has a molecular weight of 540.55 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one is sourced from PubChem (CID 149146979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).