6-Benzyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3(2H)-one - CAS 909187-64-0
Catalog: |
BB039990 |
Product Name: |
6-Benzyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3(2H)-one |
CAS: |
909187-64-0 |
Synonyms: |
6-(phenylmethyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one; 6-benzyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one |
IUPAC Name: | 6-benzyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one |
Description: | 6-Benzyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3(2H)-one (CAS# 909187-64-0) is a useful research chemical. |
Molecular Weight: | 229.28 |
Molecular Formula: | C13H15N3O |
Canonical SMILES: | C1CN(CC2=C1C(=O)NN2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C13H15N3O/c17-13-11-6-7-16(9-12(11)14-15-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17) |
InChI Key: | XDDWGECWOBJRNT-UHFFFAOYSA-N |
Density: | 1.27 g/cm3 |
MDL: | MFCD11521565 |
LogP: | 1.19920 |
Publication Number | Title | Priority Date |
AU-2011216894-A1 | Pyrazolo piperidine derivatives as NADPH oxidase inhibitors | 20100218 |
CA-2789408-A1 | Pyrazolo piperidine derivatives as nadph oxidase inhibitors | 20100218 |
EP-2361912-A1 | Pyrazolo piperidine derivatives as NADPH oxidase inhibitors | 20100218 |
EP-2536721-A1 | Pyrazolo piperidine derivatives as nadph oxidase inhibitors | 20100218 |
JP-2013520407-A | Pyrazolopiperidine derivatives as NADPH oxidase inhibitors | 20100218 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.12151211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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