Basic information
- CAS
445238-38-0- Standard SMILES
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3n2)cc1- InChIKey
OXADEZBYASXUGW-UHFFFAOYSA-N- Molecular formula
- C26H22F5N5O2
- Average molar mass
- 531.5 g/mol
- Monoisotopic mass
- 531.16936577
Names & identifiers
- Preferred name
- [7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
- IUPAC
- [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
- English name
- 7-(difluoromethyl)-5-(4-methoxyphenyl)-3-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C26H22F5N5O2
- Molecular weight
- 531.48
Names & synonyms
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanoneAK-968/41024708STL399080AKOS001679574[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone7-(difluoromethyl)-5-(4-methoxyphenyl)-3-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)pyrazolo[1,5-a]pyrimidineMethanone, [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
Database identifiers
- CAS
445238-38-0- PubChem CID
- 995978
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 803
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 1.24 · 1.24±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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