| CAS Number | 867329-86-0 |
| Catalog Number | AG019OL9 |
| Chemical Name | 1-[(3-fluorophenyl)methyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C20H14FN3O2/c21-15-8-4-5-13(9-15)12-24-19-17(11-22-24)16(20(25)26)10-18(23-19)14-6-2-1-3-7-14/h1-11H,12H2,(H,25,26) |
| InChI Key | JXKSACISZMXPDA-UHFFFAOYSA-N |
| MDL Number | MFCD07339518 |
| Molecular Formula | C20H14FN3O2 |
| Molecular Weight | 347.3425 |
| SMILES | OC(C1=C2C(N(N=C2)CC2=CC(F)=CC=C2)=NC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 1-[(3-fluorophenyl)methyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
867329-86-0,
1-(3-fluorobenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1OFJTL,
AC1Q72ON,
CTK7C1883,
ZINC4218265,
AKOS034788982,
MCULE-5612875336,
NE13552,
EN300-14378,
AB00740448-01,
Z99601134,
1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid,
CID7130731,
CID 7130731,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.349g/mol |
| Monoisotopic Mass | 347.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number