About [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 68617336) has the molecular formula C29H35N5O4Si
and a molecular weight of 545.72 g/mol. Its IUPAC name is [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone |
|---|
| PubChem CID | 68617336 |
|---|
| Molecular Formula | C29H35N5O4Si |
|---|
| Molecular Weight | 545.72 g/mol |
|---|
| Exact Mass | 545.25 |
|---|
| IUPAC Name | [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone |
|---|
| SMILES | COc1ncccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12 |
|---|
| InChI | InChI=1S/C29H35N5O4Si/c1-36-28-24(9-6-10-30-28)26-25-18-23(19-31-27(25)34(32-26)20-38-15-16-39(2,3)4)21-7-5-8-22(17-21)29(35)33-11-13-37-14-12-33/h5-10,17-19H,11-16,20H2,1-4H3 |
|---|
| InChIKey | HGQZPHKJKLMNON-UHFFFAOYSA-N |
|---|
| XLogP | 4.95 |
|---|
| TPSA | 91.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 545.72 |
| LogP ≤ 5 | 4.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone 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-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 68617336) is [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ncccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HGQZPHKJKLMNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4Si/c1-36-28-24(9-6-10-30-28)26-25-18-23(19-31-27(25)34(32-26)20-38-15-16-39(2,3)4)21-7-5-8-22(17-21)29(35)33-11-13-37-14-12-33/h5-10,17-19H,11-16,20H2,1-4H3.
What are the key properties of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 545.72 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68617336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).