About N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393788) has the molecular formula C27H23F3N6O2
and a molecular weight of 520.52 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide |
|---|
| PubChem CID | 118393788 |
|---|
| Molecular Formula | C27H23F3N6O2 |
|---|
| Molecular Weight | 520.52 g/mol |
|---|
| Exact Mass | 520.18 |
|---|
| IUPAC Name | N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide |
|---|
| SMILES | Cn1ccc(-c2cc(C(=O)Nc3c4ncc(C(C)(C)O)cc4nn3-c3ccccc3)ccc2C(F)(F)F)n1 |
|---|
| InChI | InChI=1S/C27H23F3N6O2/c1-26(2,38)17-14-22-23(31-15-17)24(36(34-22)18-7-5-4-6-8-18)32-25(37)16-9-10-20(27(28,29)30)19(13-16)21-11-12-35(3)33-21/h4-15,38H,1-3H3,(H,32,37) |
|---|
| InChIKey | ZFLNPQMSUGXZTP-UHFFFAOYSA-N |
|---|
| XLogP | 5.32 |
|---|
| 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 | 520.52 |
| LogP ≤ 5 | 5.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(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 N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393788) is N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c4ncc(C(C)(C)O)cc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZFLNPQMSUGXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6O2/c1-26(2,38)17-14-22-23(31-15-17)24(36(34-22)18-7-5-4-6-8-18)32-25(37)16-9-10-20(27(28,29)30)19(13-16)21-11-12-35(3)33-21/h4-15,38H,1-3H3,(H,32,37).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 520.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).