About 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164751162) has the molecular formula C28H35N7O4
and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide |
|---|
| PubChem CID | 164751162 |
|---|
| Molecular Formula | C28H35N7O4 |
|---|
| Molecular Weight | 533.63 g/mol |
|---|
| Exact Mass | 533.28 |
|---|
| IUPAC Name | 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide |
|---|
| SMILES | COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3nn(C4CCN(C)CC4)cc3c2)cc1C(N)=O |
|---|
| InChI | InChI=1S/C28H35N7O4/c1-17-4-7-24(18-5-6-23-19(12-18)16-35(32-23)21-8-10-33(2)11-9-21)34(15-17)28(38)26(37)31-20-13-22(25(29)36)27(39-3)30-14-20/h5-6,12-14,16-17,21,24H,4,7-11,15H2,1-3H3,(H2,29,36)(H,31,37) |
|---|
| InChIKey | TYRQYFSOODYSDI-UHFFFAOYSA-N |
|---|
| XLogP | 2.74 |
|---|
| TPSA | 135.68 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 533.63 |
| LogP ≤ 5 | 2.74 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
|---|
Analyze 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide 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 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164751162) is 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3nn(C4CCN(C)CC4)cc3c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is TYRQYFSOODYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O4/c1-17-4-7-24(18-5-6-23-19(12-18)16-35(32-23)21-8-10-33(2)11-9-21)34(15-17)28(38)26(37)31-20-13-22(25(29)36)27(39-3)30-14-20/h5-6,12-14,16-17,21,24H,4,7-11,15H2,1-3H3,(H2,29,36)(H,31,37).
What are the key properties of 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164751162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).