About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 58041829) has the molecular formula C24H23N5O5
and a molecular weight of 461.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione |
|---|
| PubChem CID | 58041829 |
|---|
| Molecular Formula | C24H23N5O5 |
|---|
| Molecular Weight | 461.48 g/mol |
|---|
| Exact Mass | 461.17 |
|---|
| IUPAC Name | (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione |
|---|
| SMILES | COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N3CCOCC3)NC(=O)NC1=O)C2 |
|---|
| InChI | InChI=1S/C24H23N5O5/c1-33-18-5-4-17-14-29(21(30)19(17)13-18)15-24(22(31)26-23(32)27-24)7-6-16-3-2-8-25-20(16)28-9-11-34-12-10-28/h2-5,8,13H,9-12,14-15H2,1H3,(H2,26,27,31,32)/t24-/m1/s1 |
|---|
| InChIKey | GFIGHPAFLJOFHC-XMMPIXPASA-N |
|---|
| XLogP | 0.51 |
|---|
| TPSA | 113.10 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 461.48 |
| LogP ≤ 5 | 0.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione 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 (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (CID 58041829) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N3CCOCC3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is GFIGHPAFLJOFHC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23N5O5/c1-33-18-5-4-17-14-29(21(30)19(17)13-18)15-24(22(31)26-23(32)27-24)7-6-16-3-2-8-25-20(16)28-9-11-34-12-10-28/h2-5,8,13H,9-12,14-15H2,1H3,(H2,26,27,31,32)/t24-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 461.48 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58041829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).