About 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 121245986) has the molecular formula C27H24FN7O4
and a molecular weight of 529.53 g/mol. Its IUPAC name is 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide |
|---|
| PubChem CID | 121245986 |
|---|
| Molecular Formula | C27H24FN7O4 |
|---|
| Molecular Weight | 529.53 g/mol |
|---|
| Exact Mass | 529.19 |
|---|
| IUPAC Name | 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide |
|---|
| SMILES | CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(F)ccc3C#N)cc2=O)cn1 |
|---|
| InChI | InChI=1S/C27H24FN7O4/c1-30-26(37)22-7-6-19(14-31-22)32-27(38)23(11-18-8-9-34(2)33-18)35-15-24(39-3)21(12-25(35)36)20-10-17(28)5-4-16(20)13-29/h4-10,12,14-15,23H,11H2,1-3H3,(H,30,37)(H,32,38) |
|---|
| InChIKey | CDWKLQCJXRVPJB-UHFFFAOYSA-N |
|---|
| XLogP | 2.45 |
|---|
| TPSA | 143.93 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 529.53 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-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 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 121245986) is 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(F)ccc3C#N)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is CDWKLQCJXRVPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O4/c1-30-26(37)22-7-6-19(14-31-22)32-27(38)23(11-18-8-9-34(2)33-18)35-15-24(39-3)21(12-25(35)36)20-10-17(28)5-4-16(20)13-29/h4-10,12,14-15,23H,11H2,1-3H3,(H,30,37)(H,32,38).
What are the key properties of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 529.53 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121245986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).