About [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
[6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone (PubChem CID 154679485) has the molecular formula C26H27FN6O5
and a molecular weight of 522.54 g/mol. Its IUPAC name is [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone.
Molecular Properties
| Compound Name | [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone |
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| PubChem CID | 154679485 |
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| Molecular Formula | C26H27FN6O5 |
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| Molecular Weight | 522.54 g/mol |
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| Exact Mass | 522.20 |
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| IUPAC Name | [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone |
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| SMILES | COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(N6CCOCC6)C5)cn4)no3)c2cc1F |
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| InChI | InChI=1S/C26H27FN6O5/c1-35-8-9-37-23-11-21-18(10-19(23)27)25(30-29-21)24-12-22(31-38-24)20-3-2-16(13-28-20)26(34)33-14-17(15-33)32-4-6-36-7-5-32/h2-3,10-13,17H,4-9,14-15H2,1H3,(H,29,30) |
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| InChIKey | ZXIBLOOKUPMNAI-UHFFFAOYSA-N |
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| XLogP | 2.60 |
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| TPSA | 118.84 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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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 | 522.54 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone (CID 154679485) is [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(N6CCOCC6)C5)cn4)no3)c2cc1F.
What is the InChIKey of [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The InChIKey is ZXIBLOOKUPMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O5/c1-35-8-9-37-23-11-21-18(10-19(23)27)25(30-29-21)24-12-22(31-38-24)20-3-2-16(13-28-20)26(34)33-14-17(15-33)32-4-6-36-7-5-32/h2-3,10-13,17H,4-9,14-15H2,1H3,(H,29,30).
What are the key properties of [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
[6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone has a molecular weight of 522.54 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-3-pyridinyl]-(3-morpholin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 154679485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).