| CAS Number | 924118-62-7 |
| Catalog Number | AG00JEW2(AGN-PC-0WBAO1) |
| Chemical Name | 1-ethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C15H13N3O2/c1-2-18-14-12(9-16-18)11(15(19)20)8-13(17-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20) |
| InChI Key | ADCBMNIKBFUALR-UHFFFAOYSA-N |
| MDL Number | MFCD06805346 |
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.2826 |
| SMILES | CCN1C2=C(C(C(O)=O)=CC(C3=CC=CC=C3)=N2)C=N1 |
| Synonyms | 1-ethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
924118-62-7,
AC1Q318Q,
CHEMBL2324890,
CTK6F1653,
MFCD06805346,
SBB022947,
STK350138,
ZINC12357799,
AKOS000263430,
MCULE-4466068059,
NE35483,
RT-006303,
EN300-25934,
Z56648330,
1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid,
1-Ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.288g/mol |
| Monoisotopic Mass | 267.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number