About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000545) has the molecular formula C21H31FN6O4
and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
Molecular Properties
| Compound Name | N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide |
|---|
| PubChem CID | 58000545 |
|---|
| Molecular Formula | C21H31FN6O4 |
|---|
| Molecular Weight | 450.52 g/mol |
|---|
| Exact Mass | 450.24 |
|---|
| IUPAC Name | N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide |
|---|
| SMILES | Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC(O)C3(CC3)C2)n1 |
|---|
| InChI | InChI=1S/C21H31FN6O4/c1-13-23-18(17(22)19(24-13)27-10-16(30)21(11-27)6-7-21)25-26-20(31)15(9-28(32)12-29)8-14-4-2-3-5-14/h12,14-16,30,32H,2-11H2,1H3,(H,26,31)(H,23,24,25)/t15-,16?/m1/s1 |
|---|
| InChIKey | RZPDKJUAPSPKPH-AAFJCEBUSA-N |
|---|
| XLogP | 1.37 |
|---|
| TPSA | 130.92 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 450.52 |
| LogP ≤ 5 | 1.37 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide 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 N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000545) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC(O)C3(CC3)C2)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is RZPDKJUAPSPKPH-AAFJCEBUSA-N. The full InChI is InChI=1S/C21H31FN6O4/c1-13-23-18(17(22)19(24-13)27-10-16(30)21(11-27)6-7-21)25-26-20(31)15(9-28(32)12-29)8-14-4-2-3-5-14/h12,14-16,30,32H,2-11H2,1H3,(H,26,31)(H,23,24,25)/t15-,16?/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 450.52 g/mol, XLogP of 1.37, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).