About N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 122186963) has the molecular formula C32H22FN7O2S
and a molecular weight of 587.64 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide.
Molecular Properties
| Compound Name | N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide |
|---|
| PubChem CID | 122186963 |
|---|
| Molecular Formula | C32H22FN7O2S |
|---|
| Molecular Weight | 587.64 g/mol |
|---|
| Exact Mass | 587.15 |
|---|
| IUPAC Name | N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide |
|---|
| SMILES | Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5cccnc5)cc4F)c3s2)c1 |
|---|
| InChI | InChI=1S/C32H22FN7O2S/c1-39-18-26(36-19-39)29-15-25-31(43-29)28(11-13-35-25)42-27-10-9-21(14-24(27)33)38-32(41)23-17-37-40(22-7-3-2-4-8-22)30(23)20-6-5-12-34-16-20/h2-19H,1H3,(H,38,41) |
|---|
| InChIKey | CXWRJKJKIGCZER-UHFFFAOYSA-N |
|---|
| XLogP | 7.13 |
|---|
| TPSA | 99.75 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 587.64 |
| LogP ≤ 5 | 7.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-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 N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide (CID 122186963) is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide is Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5cccnc5)cc4F)c3s2)c1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is CXWRJKJKIGCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN7O2S/c1-39-18-26(36-19-39)29-15-25-31(43-29)28(11-13-35-25)42-27-10-9-21(14-24(27)33)38-32(41)23-17-37-40(22-7-3-2-4-8-22)30(23)20-6-5-12-34-16-20/h2-19H,1H3,(H,38,41).
What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 587.64 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 122186963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).