Basic information
- CAS
38357-93-6- Standard SMILES
Cl.FC(F)(F)c1cccc(-n2nc(OCCCN3CCCCCC3)c3cccnc32)c1- InChIKey
GGMFMONFSMAPIB-UHFFFAOYSA-N- Molecular formula
- C22H26ClF3N4O
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1747236
Names & identifiers
- Preferred name
- Itf 1016
- IUPAC
- 3-[3-(azepan-1-yl)propoxy]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine;hydrochloride
Names & synonyms
38357-93-6ITF 10161H-Pyrazolo(3,4-b)pyridine, 3-(3-(hexahydro-1H-azepin-1-yl)propoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, monohydrochlorideDTXSID30191713RefChem:350312DTXCID701142043-(3-(Azepan-1-yl)propoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride3-[3-(azepan-1-yl)propoxy]-1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridine hydrochloride(1:1)1-[3-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)propyl]azepane hydrochloride3-[3-(Azepan-1-yl)propoxy]-1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine--hydrogen chloride (1/1)
Database identifiers
- CAS
38357-93-6- PubChem CID
- 217263
- DTXSID
DTXSID30191713
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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