| CAS Number | 1189767-28-9 |
| Catalog Number | AG01EOFA(AGN-PC-3H46CK) |
| Chemical Name | BI-409306 |
| IUPAC Name | 1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22) |
| InChI Key | BZTIJCSHNVZMES-UHFFFAOYSA-N |
| MDL Number | MFCD31746892 |
| Molecular Formula | C16H17N5O2 |
| Molecular Weight | 311.3385 |
| SMILES | N1=C(C=CC=C1)CC1=NC(C2=C(N1)N(N=C2)C2CCOCC2)=O |
| Synonyms | 6-(pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one,
BI 409306,
SUB 166499,
BI-409306,
1189767-28-9,
SCHEMBL7885817,
EX-A2733,
HY-112831,
CS-0066455,
BI 409306,BI-409306 pound notBI409306,
6-(pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.345g/mol |
| Monoisotopic Mass | 311.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number