About 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86270885) has the molecular formula C20H23FN8O4
and a molecular weight of 458.45 g/mol. Its IUPAC name is 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
Molecular Properties
| Compound Name | 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one |
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| PubChem CID | 86270885 |
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| Molecular Formula | C20H23FN8O4 |
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| Molecular Weight | 458.45 g/mol |
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| Exact Mass | 458.18 |
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| IUPAC Name | 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one |
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| SMILES | CC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc(-n5cnnn5)nn4)CC3F)C2=O)COC1=O |
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| InChI | InChI=1S/C20H23FN8O4/c1-12-14(10-33-18(12)31)28-7-5-20(19(28)32)4-6-27(9-16(20)21)8-15(30)13-2-3-17(24-23-13)29-11-22-25-26-29/h2-3,11,15-16,30H,4-10H2,1H3/t15-,16?,20?/m1/s1 |
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| InChIKey | GPJCDQKZJDNMNQ-LSWWBPAMSA-N |
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| XLogP | -0.42 |
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| TPSA | 139.46 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 458.45 |
| LogP ≤ 5 | -0.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86270885) is 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc(-n5cnnn5)nn4)CC3F)C2=O)COC1=O.
What is the InChIKey of 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GPJCDQKZJDNMNQ-LSWWBPAMSA-N. The full InChI is InChI=1S/C20H23FN8O4/c1-12-14(10-33-18(12)31)28-7-5-20(19(28)32)4-6-27(9-16(20)21)8-15(30)13-2-3-17(24-23-13)29-11-22-25-26-29/h2-3,11,15-16,30H,4-10H2,1H3/t15-,16?,20?/m1/s1.
What are the key properties of 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 458.45 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86270885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).