5-Boc-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3(2H)-one - CAS 152559-30-3
Catalog: |
BB010796 |
Product Name: |
5-Boc-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3(2H)-one |
CAS: |
152559-30-3 |
Synonyms: |
3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester; tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate |
IUPAC Name: | tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate |
Description: | 5-Boc-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3(2H)-one (CAS# 152559-30-3) is a useful research chemical. |
Molecular Weight: | 239.27 |
Molecular Formula: | C11H17N3O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2 |
InChI: | InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-8-7(6-14)9(15)13-12-8/h4-6H2,1-3H3,(H2,12,13,15) |
InChI Key: | DTLXVAXCKABFRY-UHFFFAOYSA-N |
MDL: | MFCD11501668 |
LogP: | 1.34640 |
Publication Number | Title | Priority Date |
WO-2019055966-A2 | PYRIDAZINONES AND METHODS OF USE | 20170918 |
EP-3684364-A2 | Pyridazinones and methods of use thereof | 20170918 |
US-10093669-B2 | Derivatives and methods of treating hepatitis B infections | 20141230 |
US-10544141-B2 | Derivatives and methods of treating hepatitis B infections | 20141230 |
US-2016185778-A1 | Derivatives and methods of treating hepatitis b infections | 20141230 |
PMID | Publication Date | Title | Journal |
21580034 | 20091216 | Tert-butyl 3-oxo-2,3,4,5,6,7-hexa-hydro-1H-pyrazolo[4,3-c]pyridine-5-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.12699141 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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