About [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 155067485) has the molecular formula C23H24FN5O4
and a molecular weight of 453.47 g/mol. Its IUPAC name is [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.
Molecular Properties
| Compound Name | [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol |
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| PubChem CID | 155067485 |
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| Molecular Formula | C23H24FN5O4 |
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| Molecular Weight | 453.47 g/mol |
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| Exact Mass | 453.18 |
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| IUPAC Name | [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol |
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| SMILES | COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCC[C@@H]5CO)nc4)no3)c2cc1F |
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| InChI | InChI=1S/C23H24FN5O4/c1-31-7-8-32-20-11-19-16(9-17(20)24)23(27-26-19)21-10-18(28-33-21)14-4-5-22(25-12-14)29-6-2-3-15(29)13-30/h4-5,9-12,15,30H,2-3,6-8,13H2,1H3,(H,26,27)/t15-/m1/s1 |
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| InChIKey | SCWFALQRNXNGCT-OAHLLOKOSA-N |
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| XLogP | 3.41 |
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| TPSA | 109.53 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 453.47 |
| LogP ≤ 5 | 3.41 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 155067485) is [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCC[C@@H]5CO)nc4)no3)c2cc1F.
What is the InChIKey of [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is SCWFALQRNXNGCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-31-7-8-32-20-11-19-16(9-17(20)24)23(27-26-19)21-10-18(28-33-21)14-4-5-22(25-12-14)29-6-2-3-15(29)13-30/h4-5,9-12,15,30H,2-3,6-8,13H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 453.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155067485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).