About 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one
3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 139375606) has the molecular formula C26H37N3O3S
and a molecular weight of 471.67 g/mol. Its IUPAC name is 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
Molecular Properties
| Compound Name | 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one |
|---|
| PubChem CID | 139375606 |
|---|
| Molecular Formula | C26H37N3O3S |
|---|
| Molecular Weight | 471.67 g/mol |
|---|
| Exact Mass | 471.26 |
|---|
| IUPAC Name | 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one |
|---|
| SMILES | C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccsc3c2=O)C2(CCCC2)C1 |
|---|
| InChI | InChI=1S/C26H37N3O3S/c1-19(15-20-7-3-2-4-8-20)23(30)28-13-12-26(32,25(16-28)10-5-6-11-25)17-29-18-27-21-9-14-33-22(21)24(29)31/h9,14,18-20,32H,2-8,10-13,15-17H2,1H3/t19-,26?/m1/s1 |
|---|
| InChIKey | SXGBMMHURFIKOU-ICCFGIFFSA-N |
|---|
| XLogP | 4.59 |
|---|
| TPSA | 75.43 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 471.67 |
| LogP ≤ 5 | 4.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 139375606) is 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccsc3c2=O)C2(CCCC2)C1.
What is the InChIKey of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SXGBMMHURFIKOU-ICCFGIFFSA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-19(15-20-7-3-2-4-8-20)23(30)28-13-12-26(32,25(16-28)10-5-6-11-25)17-29-18-27-21-9-14-33-22(21)24(29)31/h9,14,18-20,32H,2-8,10-13,15-17H2,1H3/t19-,26?/m1/s1.
What are the key properties of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 471.67 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139375606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).