| CAS Number | 2066488-39-7 |
| Catalog Number | AG01ENIN(AGN-PC-3H45MH) |
| Chemical Name | 6-[[(1S)-1-(4-Chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m0/s1 |
| InChI Key | FIUCLBJMUGCQTF-NSHDSACASA-N |
| MDL Number | MFCD31579858 |
| Molecular Formula | C18H20ClN5O |
| Molecular Weight | 357.8373 |
| SMILES | ClC1=CC=C(C=C1)[C@H](C)NC1=NC(C2=C(N1)N(N=C2)C2CCCC2)=O |
| Synonyms | (S)-6-((1-(4-chlorophenyl)ethyl)amino)-1-cyclopentyl-1,5,6,7-tetrahydro-4H-pyrazolo(3,4-day)pyrimidin-4-one,
(S)-C33,
C33(S),
(S)-C33,
6-{[(1s)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One,
2066488-39-7,
49D,
6-[[(1S)-1-(4-Chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
PDE9A inhibitor C33(S),
AKOS034831601,
(S)-6-(1-(4-Chlorophenyl)ethylamino)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.842g/mol |
| Monoisotopic Mass | 357.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number