About 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393878) has the molecular formula C26H20F4N6O2
and a molecular weight of 524.48 g/mol. Its IUPAC name is 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide |
|---|
| PubChem CID | 118393878 |
|---|
| Molecular Formula | C26H20F4N6O2 |
|---|
| Molecular Weight | 524.48 g/mol |
|---|
| Exact Mass | 524.16 |
|---|
| IUPAC Name | 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide |
|---|
| SMILES | CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)n(-c3ccccc3)nc2c1 |
|---|
| InChI | InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38) |
|---|
| InChIKey | CDGQZCLRDVGCPS-UHFFFAOYSA-N |
|---|
| XLogP | 5.28 |
|---|
| TPSA | 97.86 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 524.48 |
| LogP ≤ 5 | 5.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide 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-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393878) is 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)n(-c3ccccc3)nc2c1.
What is the InChIKey of 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CDGQZCLRDVGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38).
What are the key properties of 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 524.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).