| CAS Number | 2093978-86-8 |
| Catalog Number | AG019EOV |
| Chemical Name | 3-cyclobutyl-4-hydroxy-1-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one |
| IUPAC Name | 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one |
| InChI | InChI=1S/C16H15N3O2/c20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2,(H2,17,20,21) |
| InChI Key | DILZMEIFLZCHKT-UHFFFAOYSA-N |
| MDL Number | MFCD31555284 |
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.3092 |
| SMILES | Oc1cc(=O)[nH]c2n(nc(C3CCC3)c12)-c1ccccc1 |
| Synonyms | 3-cyclobutyl-4-hydroxy-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one,
2093978-86-8,
SCHEMBL18693794,
ZINC642881913,
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| Complexity | 454 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.315g/mol |
| Monoisotopic Mass | 281.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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