3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(4-fluoro-3-methoxybenzyl)-5,5-dimethylimidazolidine-2,4-dione

HCID 53375152

Basic information

Standard SMILES
COc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)ccc1F
InChIKey
SPRPPVUFTRTVCM-UHFFFAOYSA-N
Molecular formula
C22H24FN5O4
Average molar mass
441.5 g/mol
Monoisotopic mass
441.18123243

Names & identifiers

Preferred name
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(4-fluoro-3-methoxybenzyl)-5,5-dimethylimidazolidine-2,4-dione
IUPAC
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-fluoro-3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

Names & synonyms

SCHEMBL1279192CHEMBL3945434SPRPPVUFTRTVCM-UHFFFAOYSA-NBDBM211369US9247759, 12-203-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(4-fluoro-3-methoxybenzyl)-5,5-dimethylimidazolidine-2,4-dione

Database identifiers

PubChem CID
53375152
ChEMBL
CHEMBL3945434

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
93.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records

Compound notes

Loading…