About 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (PubChem CID 58073117) has the molecular formula C24H26N4O5
and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.
Molecular Properties
| Compound Name | 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone |
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| PubChem CID | 58073117 |
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| Molecular Formula | C24H26N4O5 |
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| Molecular Weight | 450.50 g/mol |
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| Exact Mass | 450.19 |
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| IUPAC Name | 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone |
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| SMILES | COCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Cc4cccnn4)C3)nc2)c1 |
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| InChI | InChI=1S/C24H26N4O5/c1-30-10-11-32-19-6-7-22(31-2)21(13-19)17-5-8-23(25-14-17)33-20-15-28(16-20)24(29)12-18-4-3-9-26-27-18/h3-9,13-14,20H,10-12,15-16H2,1-2H3 |
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| InChIKey | YCHDBCKNSUUVCK-UHFFFAOYSA-N |
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| XLogP | 2.40 |
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| TPSA | 95.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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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 | 450.50 |
| LogP ≤ 5 | 2.40 |
| H-Bond Donors ≤ 5 | 0 |
| 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 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The IUPAC name of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (CID 58073117) is 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is COCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Cc4cccnn4)C3)nc2)c1.
What is the InChIKey of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The InChIKey is YCHDBCKNSUUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-10-11-32-19-6-7-22(31-2)21(13-19)17-5-8-23(25-14-17)33-20-15-28(16-20)24(29)12-18-4-3-9-26-27-18/h3-9,13-14,20H,10-12,15-16H2,1-2H3.
What are the key properties of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone has a molecular weight of 450.50 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is sourced from PubChem (CID 58073117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).