5-Bromo-6-{4-[5-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine

HCID 89445503

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncnc(N)c2Br)CC1
InChIKey: SAPWDPFUJRBXMB-UHFFFAOYSA-N
Molecular formula: C20H19BrF4N6
Average molar mass: 499.3 g/mol

Names & identifiers

Preferred name: 5-Bromo-6-{4-[5-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
IUPAC: 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

Names & synonyms

5-Bromo-6-{4-[5-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamineCHEMBL3889927SCHEMBL14786476BDBM182301US9145392, 2

Database identifiers

PubChem CID: 89445503
ChEMBL: CHEMBL3889927

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 31
Formal charge: 0
Complexity: 605

Related reactions

1 records

New reaction record

HRID 2283951As productuspto-grants-2015_09

Compound notes

Loading…