| CAS Number | 863669-02-7 |
| Catalog Number | AG019OJV |
| Chemical Name | 1-(4-Chlorobenzyl)-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C20H14ClN3O2/c21-15-8-6-13(7-9-15)12-24-19-17(11-22-24)16(20(25)26)10-18(23-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26) |
| InChI Key | NKVVZGCELFOGBD-UHFFFAOYSA-N |
| MDL Number | MFCD07339123 |
| Molecular Formula | C20H14ClN3O2 |
| Molecular Weight | 363.7971 |
| SMILES | OC(C1=C2C(N(N=C2)CC2=CC=C(Cl)C=C2)=NC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 1-[(4-chlorophenyl)methyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
863669-02-7,
1-(4-chlorobenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1NLRBB,
AC1Q72OO,
CTK6H0148,
ZINC4207431,
AKOS034788833,
MCULE-7333041623,
NE13545,
EN300-14209,
AB00738932-01,
Z99599528,
1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid,
CID4962897,
CID 4962897,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.801g/mol |
| Monoisotopic Mass | 363.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number