About N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118537213) has the molecular formula C33H23FN8O
and a molecular weight of 566.60 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
Molecular Properties
| Compound Name | N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide |
|---|
| PubChem CID | 118537213 |
|---|
| Molecular Formula | C33H23FN8O |
|---|
| Molecular Weight | 566.60 g/mol |
|---|
| Exact Mass | 566.20 |
|---|
| IUPAC Name | N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide |
|---|
| SMILES | Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc(-c5cccnc5)c4)cn3n2)c1-c1ccncc1 |
|---|
| InChI | InChI=1S/C33H23FN8O/c1-41-32(22-13-16-35-17-14-22)30(31(40-41)21-7-9-26(34)10-8-21)27-11-12-29-37-28(20-42(29)39-27)38-33(43)24-5-2-4-23(18-24)25-6-3-15-36-19-25/h2-20H,1H3,(H,38,43) |
|---|
| InChIKey | AQLCHMIERZLBLN-UHFFFAOYSA-N |
|---|
| XLogP | 6.31 |
|---|
| TPSA | 102.89 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 566.60 |
| LogP ≤ 5 | 6.31 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide 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-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (CID 118537213) is N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc(-c5cccnc5)c4)cn3n2)c1-c1ccncc1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is AQLCHMIERZLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN8O/c1-41-32(22-13-16-35-17-14-22)30(31(40-41)21-7-9-26(34)10-8-21)27-11-12-29-37-28(20-42(29)39-27)38-33(43)24-5-2-4-23(18-24)25-6-3-15-36-19-25/h2-20H,1H3,(H,38,43).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 566.60 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118537213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).