About 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one
5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 139375425) has the molecular formula C27H41N5O3
and a molecular weight of 483.66 g/mol. Its IUPAC name is 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one.
Molecular Properties
| Compound Name | 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one |
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| PubChem CID | 139375425 |
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| Molecular Formula | C27H41N5O3 |
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| Molecular Weight | 483.66 g/mol |
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| Exact Mass | 483.32 |
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| IUPAC Name | 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one |
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| SMILES | CCn1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc21 |
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| InChI | InChI=1S/C27H41N5O3/c1-3-32-23-22(16-29-32)25(34)31(19-28-23)18-27(35)13-14-30(17-26(27)11-7-8-12-26)24(33)20(2)15-21-9-5-4-6-10-21/h16,19-21,35H,3-15,17-18H2,1-2H3/t20-,27?/m1/s1 |
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| InChIKey | AGCVOUOPKQGFRZ-ACVCQEAVSA-N |
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| XLogP | 3.74 |
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| TPSA | 93.25 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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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 | 483.66 |
| LogP ≤ 5 | 3.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one (CID 139375425) is 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one is CCn1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc21.
What is the InChIKey of 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AGCVOUOPKQGFRZ-ACVCQEAVSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-3-32-23-22(16-29-32)25(34)31(19-28-23)18-27(35)13-14-30(17-26(27)11-7-8-12-26)24(33)20(2)15-21-9-5-4-6-10-21/h16,19-21,35H,3-15,17-18H2,1-2H3/t20-,27?/m1/s1.
What are the key properties of 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 483.66 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-ethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 139375425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).