| CAS Number | 1416714-23-2 |
| Catalog Number | AG00A04G(AGN-PC-0WNXH6) |
| Chemical Name | 5-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE |
| IUPAC Name | 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-amine |
| InChI | InChI=1S/C11H13BrN4O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2,(H2,13,15) |
| InChI Key | VHXFNRQQUOYNIN-UHFFFAOYSA-N |
| MDL Number | MFCD22689754 |
| Molecular Formula | C11H13BrN4O |
| Molecular Weight | 297.1511 |
| SMILES | c1c(cnc2c1c(nn2C3CCCCO3)N)Br |
| Synonyms | 1416714-23-2,
5-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine,
MFCD22689754,
AS-41041,
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine, 95% - 1G 1g,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.156g/mol |
| Monoisotopic Mass | 296.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number