| CAS Number | 920631-57-8 |
| Catalog Number | AG01AV21 |
| Chemical Name | 6-(furan-2-yl)-1-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C17H12N4O3/c22-17(23)12-7-14(15-4-2-6-24-15)20-16-13(12)9-19-21(16)10-11-3-1-5-18-8-11/h1-9H,10H2,(H,22,23) |
| InChI Key | ZGYLQFJLYCIKSO-UHFFFAOYSA-N |
| MDL Number | MFCD08493659 |
| Molecular Formula | C17H12N4O3 |
| Molecular Weight | 320.3022 |
| SMILES | OC(C1=C2C(N(N=C2)CC2=CN=CC=C2)=NC(C2OC=CC=2)=C1)=O |
| Synonyms | 920631-57-8,
6-(furan-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
ZINC8192630,
AKOS034769792,
MCULE-4836025138,
Z98638856,
6-(furan-2-yl)-1-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.308g/mol |
| Monoisotopic Mass | 320.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number