About 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one
3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one (PubChem CID 121315825) has the molecular formula C23H29N7O5
and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one.
Molecular Properties
| Compound Name | 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one |
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| PubChem CID | 121315825 |
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| Molecular Formula | C23H29N7O5 |
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| Molecular Weight | 483.53 g/mol |
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| Exact Mass | 483.22 |
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| IUPAC Name | 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one |
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| SMILES | CC1=C(N2CCCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O |
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| InChI | InChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3 |
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| InChIKey | AEUAJUWFIUOPNZ-UHFFFAOYSA-N |
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| XLogP | 0.31 |
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| TPSA | 135.80 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 | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 483.53 |
| LogP ≤ 5 | 0.31 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one (CID 121315825) is 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one is CC1=C(N2CCCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O.
What is the InChIKey of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The InChIKey is AEUAJUWFIUOPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3.
What are the key properties of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one has a molecular weight of 483.53 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 121315825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).