About 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 123251753) has the molecular formula C25H32ClN5O3
and a molecular weight of 486.02 g/mol. Its IUPAC name is 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.
Molecular Properties
| Compound Name | 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol |
|---|
| PubChem CID | 123251753 |
|---|
| Molecular Formula | C25H32ClN5O3 |
|---|
| Molecular Weight | 486.02 g/mol |
|---|
| Exact Mass | 485.22 |
|---|
| IUPAC Name | 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol |
|---|
| SMILES | CNCC(O)COc1cc(Cl)cc(-c2cc(N(C)C3CCOCC3)n3ncc(C4CC4)c3n2)c1 |
|---|
| InChI | InChI=1S/C25H32ClN5O3/c1-27-13-20(32)15-34-21-10-17(9-18(26)11-21)23-12-24(30(2)19-5-7-33-8-6-19)31-25(29-23)22(14-28-31)16-3-4-16/h9-12,14,16,19-20,27,32H,3-8,13,15H2,1-2H3 |
|---|
| InChIKey | WCXVIGUHRIHTNS-UHFFFAOYSA-N |
|---|
| XLogP | 3.50 |
|---|
| TPSA | 84.15 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 486.02 |
| LogP ≤ 5 | 3.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol 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 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 123251753) is 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(Cl)cc(-c2cc(N(C)C3CCOCC3)n3ncc(C4CC4)c3n2)c1.
What is the InChIKey of 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is WCXVIGUHRIHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O3/c1-27-13-20(32)15-34-21-10-17(9-18(26)11-21)23-12-24(30(2)19-5-7-33-8-6-19)31-25(29-23)22(14-28-31)16-3-4-16/h9-12,14,16,19-20,27,32H,3-8,13,15H2,1-2H3.
What are the key properties of 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 486.02 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 123251753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).