1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-5-methoxy-1h-pyrrolo[2,3-b]pyridine

HCID 57713030
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OC)cnc21
InChIKey
XXHURAGZMJSELF-UHFFFAOYSA-N
Molecular formula
C23H22F3N3OS
Average molar mass
445.5 g/mol

Names & identifiers

Preferred name
1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-5-methoxy-1h-pyrrolo[2,3-b]pyridine
IUPAC
4-butyl-5-[(5-methoxypyrrolo[2,3-b]pyridin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Names & synonyms

SCHEMBL40746501-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-5-methoxy-1H-pyrrolo[2,3- b]pyridine1-[4-butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-5-methoxy-1h-pyrrolo[2,3-b]pyridine

Database identifiers

PubChem CID
57713030

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

Loading…