| CAS Number | 1236858-52-8 |
| Catalog Number | AG01ENKD(AGN-PC-0WNOCA) |
| Chemical Name | 1,5-Dihydro-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 1-(oxan-4-yl)-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1 |
| InChI Key | FHBANDDJQJAZOQ-CQSZACIVSA-N |
| MDL Number | MFCD28963901 |
| Molecular Formula | C21H25N5O3 |
| Molecular Weight | 395.4549 |
| SMILES | O=C1N=C([C@@H](C)N2CC(OC3=CC=CC=C3)C2)NC4=C1C=NN4C5CCOCC5 |
| Synonyms | CHEMBL2180073,
PF 04449613,
1236858-52-8,
SCHEMBL2996119,
BDBM50398789,
AKOS030210968,
PF 9613,
D04JPG,
WEDCMPMDOVEMSV-CQSZACIVSA-N,
PDE 9 inhibitor (Alzheimer's disease),
PF-04447943,
PDE 9 inhibitor (Alzheimer's disease), Pfizer,
Phosphodiesterase 9 inhibitor (Alzheimer's disease), Pfizer,
1,5-Dihydro-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-4H-pyrazolo[3,4-d]pyrimidin-4-one,
|
| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.463g/mol |
| Monoisotopic Mass | 395.196g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number