About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide (PubChem CID 156565533) has the molecular formula C26H26Cl2N6O4S
and a molecular weight of 589.51 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide.
Molecular Properties
| Compound Name | 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide |
|---|
| PubChem CID | 156565533 |
|---|
| Molecular Formula | C26H26Cl2N6O4S |
|---|
| Molecular Weight | 589.51 g/mol |
|---|
| Exact Mass | 588.11 |
|---|
| IUPAC Name | 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide |
|---|
| SMILES | [H]N=S(C)(=O)c1ccc(NC(=O)c2nn(C3CCCCO3)c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cn1 |
|---|
| InChI | InChI=1S/C26H26Cl2N6O4S/c1-15(24-19(27)13-30-14-20(24)28)38-17-7-8-21-18(11-17)25(33-34(21)23-5-3-4-10-37-23)26(35)32-16-6-9-22(31-12-16)39(2,29)36/h6-9,11-15,23,29H,3-5,10H2,1-2H3,(H,32,35) |
|---|
| InChIKey | FVKSLSDHJXDKNZ-UHFFFAOYSA-N |
|---|
| XLogP | 6.26 |
|---|
| TPSA | 132.08 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 589.51 |
| LogP ≤ 5 | 6.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-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-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide (CID 156565533) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide is [H]N=S(C)(=O)c1ccc(NC(=O)c2nn(C3CCCCO3)c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cn1.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide?
The InChIKey is FVKSLSDHJXDKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O4S/c1-15(24-19(27)13-30-14-20(24)28)38-17-7-8-21-18(11-17)25(33-34(21)23-5-3-4-10-37-23)26(35)32-16-6-9-22(31-12-16)39(2,29)36/h6-9,11-15,23,29H,3-5,10H2,1-2H3,(H,32,35).
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide has a molecular weight of 589.51 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[6-(methylsulfonimidoyl)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 156565533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).