Basic information
- CAS
34580-71-7- Standard SMILES
CCN(CC)CCOc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12.Cl- InChIKey
JVWOKUIEVFGCSV-UHFFFAOYSA-N- Molecular formula
- C19H22ClF3N4O
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1434235
Names & identifiers
- Preferred name
- Itf 1019
- IUPAC
- N,N-diethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyethanamine;hydrochloride
Names & synonyms
ITF 101934580-71-7Ethylamine, N,N-diethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochlorideDTXSID50188140RefChem:350314DTXCID80110631N,N-Diethyl-2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
34580-71-7- PubChem CID
- 214912
- DTXSID
DTXSID50188140
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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