| CAS Number | 924014-94-8 |
| Catalog Number | AG00J97R(AGN-PC-00UXK9) |
| Chemical Name | 1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C15H13N3O2/c1-9-13-11(15(19)20)8-12(10-6-4-3-5-7-10)16-14(13)18(2)17-9/h3-8H,1-2H3,(H,19,20) |
| InChI Key | CKGAVMSPDAMZQL-UHFFFAOYSA-N |
| MDL Number | MFCD06805352 |
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.2826 |
| SMILES | CC1C2=C(N=C(C3=CC=CC=C3)C=C2C(O)=O)N(C)N=1 |
| Synonyms | 1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
924014-94-8,
1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid,
CTK7I7044,
AC1Q4098,
ZINC9953650,
BBL030693,
SBB033671,
STK644166,
AKOS000263695,
MCULE-4223230300,
NE27286,
ST50807891,
EN300-26244,
AB00759518-01,
Z55872125,
|
| Complexity | 370 |
| 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 | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number