| CAS Number | 871548-24-2 |
| Catalog Number | AG00IEE5 |
| Chemical Name | 6-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C16H15N3O2/c1-10-3-5-12(6-4-10)9-19-15-14(8-17-19)13(16(20)21)7-11(2)18-15/h3-8H,9H2,1-2H3,(H,20,21) |
| InChI Key | YYXAQSFNYXGRGR-UHFFFAOYSA-N |
| MDL Number | MFCD07352244 |
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.3092 |
| SMILES | CC1=CC=C(CN2C3=C(C(C(O)=O)=CC(=N3)C)C=N2)C=C1 |
| Synonyms | 871548-24-2,
6-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
6-methyl-1-(4-methylbenzyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1OFL0L,
AC1Q2LZY,
CTK6B8331,
ZINC4218663,
MFCD07352244,
AKOS000118395,
MCULE-5279338325,
NE56892,
EN300-14951,
Z111874780,
6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid,
CID7131247,
CID 7131247,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.315g/mol |
| Monoisotopic Mass | 281.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number