Basic information
- CAS
34580-68-2- Standard SMILES
CN(C)CCCOc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12.Cl- InChIKey
DCXGDOLKNVDLBF-UHFFFAOYSA-N- Molecular formula
- C18H20ClF3N4O
- Average molar mass
- 400.8 g/mol
- Monoisotopic mass
- 400.1277735
Names & identifiers
- Preferred name
- Itf 1020
- IUPAC
- N,N-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxypropan-1-amine;hydrochloride
Names & synonyms
ITF 102034580-68-2Propylamine, N,N-dimethyl-3-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochlorideRefChem:350315DTXSID50956088N,N-Dimethyl-3-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
34580-68-2- PubChem CID
- 214906
- DTXSID
DTXSID50956088
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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