Basic information
- CAS
34580-70-6- Standard SMILES
Cl.FC(F)(F)c1cccc(-n2nc(OCCN3CCCCC3)c3cccnc32)c1- InChIKey
DWKPTKSRQULISV-UHFFFAOYSA-N- Molecular formula
- C20H22ClF3N4O
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.1434235
Names & identifiers
- Preferred name
- Itf 1018
- IUPAC
- 3-(2-piperidin-1-ylethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine;hydrochloride
Names & synonyms
34580-70-6ITF 10181H-Pyrazolo(3,4-b)pyridine, 3-(2-(1-piperidinyl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-, monohydrochlorideRefChem:3503133-(2-(Piperidin-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride3-[2-(piperidin-1-yl)ethoxy]-1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridine hydrochloride(1:1)1-[2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethyl]piperidine hydrochlorideDTXSID209560903-[2-(Piperidin-1-yl)ethoxy]-1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine--hydrogen chloride (1/1)
Database identifiers
- CAS
34580-70-6- PubChem CID
- 214910
- DTXSID
DTXSID20956090
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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