1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol

HCID 57713027

Basic information

Standard SMILES
CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(O)cnc21
InChIKey
BCVWYNXZABISQO-UHFFFAOYSA-N
Molecular formula
C22H20F3N3OS
Average molar mass
431.5 g/mol

Names & identifiers

Preferred name
1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol
IUPAC
1-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]pyrrolo[2,3-b]pyridin-5-ol

Names & synonyms

1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-olSCHEMBL40727221-[4-Butyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol

Database identifiers

PubChem CID
57713027

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
79.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

6 records

Compound notes

Loading…