| CAS Number | 929974-33-4 |
| Catalog Number | AG019KE6 |
| Chemical Name | 1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C20H15N3O2/c24-20(25)16-11-18(15-9-5-2-6-10-15)22-19-17(16)12-21-23(19)13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25) |
| InChI Key | QZVIHAPHTFLCEK-UHFFFAOYSA-N |
| MDL Number | MFCD08729219 |
| Molecular Formula | C20H15N3O2 |
| Molecular Weight | 329.352 |
| SMILES | OC(C1=C2C(N(N=C2)CC2=CC=CC=C2)=NC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
929974-33-4,
AC1Q72OR,
CHEMBL2324885,
CTK7I7197,
ZINC8939971,
AKOS033844764,
MCULE-7865384983,
NE32546,
EN300-26590,
AB00764540-01,
Z227830252,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.359g/mol |
| Monoisotopic Mass | 329.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number