| CAS Number | 924243-72-1 |
| Catalog Number | AG00GUCK |
| Chemical Name | 6-(2-methylphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-(2-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C17H17N3O2/c1-10(2)20-16-14(9-18-20)13(17(21)22)8-15(19-16)12-7-5-4-6-11(12)3/h4-10H,1-3H3,(H,21,22) |
| InChI Key | GUNHHKDGOOZCOL-UHFFFAOYSA-N |
| MDL Number | MFCD08691148 |
| Molecular Formula | C17H17N3O2 |
| Molecular Weight | 295.3358 |
| SMILES | O=C(C1=C2C(N(C(C)C)N=C2)=NC(C3=CC=CC=C3C)=C1)O |
| Synonyms | 1-isopropyl-6-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
924243-72-1,
6-(2-methylphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q1Q4C,
CTK7I7182,
ZINC12505158,
AKOS027427190,
MCULE-7670022122,
NE18761,
EN300-25933,
J-504826,
Z56643722,
1-Isopropyl-6-(o-tolyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.342g/mol |
| Monoisotopic Mass | 295.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number