| CAS Number | 929974-29-8 |
| Catalog Number | AG019KE3 |
| Chemical Name | 1-[(furan-2-yl)methyl]-6-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C17H12N4O3/c22-17(23)13-7-15(11-3-1-5-18-8-11)20-16-14(13)9-19-21(16)10-12-4-2-6-24-12/h1-9H,10H2,(H,22,23) |
| InChI Key | BBJCDSQMEHEMLJ-UHFFFAOYSA-N |
| MDL Number | MFCD09040383 |
| Molecular Formula | C17H12N4O3 |
| Molecular Weight | 320.3022 |
| SMILES | OC(C1=C2C(N(N=C2)CC2OC=CC=2)=NC(C2=CN=CC=C2)=C1)=O |
| Synonyms | 1-(furan-2-ylmethyl)-6-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
929974-29-8,
1-(2-furylmethyl)-6-pyridin-3-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q72OU,
CTK7I7202,
ZINC8855819,
AKOS034450268,
MCULE-9822205751,
NE18029,
EN300-26584,
Z56650342,
1-[(furan-2-yl)methyl]-6-(pyridin-3-yl)-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