About (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine
(2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine (PubChem CID 126485719) has the molecular formula C26H33FN6O3
and a molecular weight of 496.59 g/mol. Its IUPAC name is (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine.
Molecular Properties
| Compound Name | (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine |
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| PubChem CID | 126485719 |
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| Molecular Formula | C26H33FN6O3 |
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| Molecular Weight | 496.59 g/mol |
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| Exact Mass | 496.26 |
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| IUPAC Name | (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine |
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| SMILES | COc1nc(N2CCO[C@H](C)C2)cc(-n2ncc3cc(C)c([C@@H]4CCN(C5COC5)C[C@@H]4F)cc32)n1 |
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| InChI | InChI=1S/C26H33FN6O3/c1-16-8-18-11-28-33(25-10-24(29-26(30-25)34-3)32-6-7-36-17(2)12-32)23(18)9-21(16)20-4-5-31(13-22(20)27)19-14-35-15-19/h8-11,17,19-20,22H,4-7,12-15H2,1-3H3/t17-,20+,22+/m1/s1 |
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| InChIKey | ULFITHLIBMTTHS-AGHHOFFYSA-N |
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| XLogP | 2.88 |
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| TPSA | 77.77 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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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 | 496.59 |
| LogP ≤ 5 | 2.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine (CID 126485719) is (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine is COc1nc(N2CCO[C@H](C)C2)cc(-n2ncc3cc(C)c([C@@H]4CCN(C5COC5)C[C@@H]4F)cc32)n1.
What is the InChIKey of (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is ULFITHLIBMTTHS-AGHHOFFYSA-N. The full InChI is InChI=1S/C26H33FN6O3/c1-16-8-18-11-28-33(25-10-24(29-26(30-25)34-3)32-6-7-36-17(2)12-32)23(18)9-21(16)20-4-5-31(13-22(20)27)19-14-35-15-19/h8-11,17,19-20,22H,4-7,12-15H2,1-3H3/t17-,20+,22+/m1/s1.
What are the key properties of (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine?
(2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 496.59 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 126485719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).