1-cycloheptyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
Basic information
- CAS
578718-45-3- Standard SMILES
Cc1cc(C)c2c(=O)[nH]n(C3CCCCCC3)c2n1- InChIKey
GRKGZJNNTAODIM-UHFFFAOYSA-N- Molecular formula
- C15H21N3O
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.1684623
Names & identifiers
- Preferred name
- 1-cycloheptyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
- IUPAC
- 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
Names & synonyms
578718-45-31-cycloheptyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one1-cycloheptyl-4,6-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-oneChemDiv2_001773MLS000693811CHEMBL1411984GRKGZJNNTAODIM-UHFFFAOYSA-NDTXSID501332172HMS1374A13HMS2684D07STK558026
Show more names
STK776827AKOS001689142AKOS005618138SMR000299819ST091195EU-00504601-cycloheptyl-4,6-dimethyl-3-pyrazolino[3,4-b]pyridin-3-onePyrazolo[3,4-b]pyridin-3-one, 1-cycloheptyl-4,6-dimethyl-1,2-dihydro-
Database identifiers
- CAS
578718-45-3- PubChem CID
- 757649
- DTXSID
DTXSID501332172- ChEMBL
CHEMBL1411984
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…