Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochloride

HCID 214914

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 34580-72-8
Standard SMILES: CN(C)CCOc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12.Cl
InChIKey: IDXFIYKMQCYMHI-UHFFFAOYSA-N
Molecular formula: C17H18ClF3N4O
Average molar mass: 386.8 g/mol
Monoisotopic mass: 386.1121234

Names & identifiers

Preferred name: Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochloride
IUPAC: N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyethanamine;hydrochloride

Names & synonyms

ITF 102234580-72-8Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochlorideRefChem:345169DTXSID80956091N,N-Dimethyl-2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 34580-72-8
PubChem CID: 214914
DTXSID: DTXSID80956091

Properties

Computed structural properties

Topological polar surface area: 43.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 435

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…