| CAS Number | 630107-82-3 |
| Catalog Number | AG00JF8Y(AGN-PC-0ODZAK) |
| Chemical Name | 1-(2-Fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one |
| IUPAC Name | 1-(2-fluorophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C11H7FN4O/c12-8-3-1-2-4-9(8)16-10-7(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17) |
| InChI Key | MVCLSWLECDJMRD-UHFFFAOYSA-N |
| MDL Number | MFCD08556266 |
| Molecular Formula | C11H7FN4O |
| Molecular Weight | 230.1979 |
| SMILES | FC1=C(N2C3=C(C(NC=N3)=O)C=N2)C=CC=C1 |
| Synonyms | 630107-82-3,
1-(2-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
1-(2-Fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one,
1-(2-fluorophenyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one,
SCHEMBL12000897,
CTK7C2537,
SBB024187,
STK351220,
ZINC12395042,
AKOS000314039,
AKOS030649672,
MCULE-1169908392,
SEL13800825,
ST45119065,
EN300-230970,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.202g/mol |
| Monoisotopic Mass | 230.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number