[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone
Basic information
- CAS
438232-55-4- Standard SMILES
CC(C)(C)c1ccc(-c2cc(C(=O)N3N=C(C(F)F)CC3(O)C(F)F)c3cc(Br)ccc3n2)cc1- InChIKey
NYJDKNNXBADANQ-UHFFFAOYSA-N- Molecular formula
- C25H22BrF4N3O2
- Average molar mass
- 552.4 g/mol
Names & identifiers
- Preferred name
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone
- IUPAC
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone
- English name
- 1-{[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C25H22BrF4N3O2
- Molecular weight
- 552.3586928
Names & synonyms
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl][6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone1-{[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-olAK-968/41924550STK449513AKOS003294269AKOS022147226ST508319653,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl) 2-[4-(tert-butyl)phenyl]-6-br omo(4-quinolyl) ketone438232-55-4
Database identifiers
- CAS
438232-55-4
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 815
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Compound notes
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