(R)-tert-butyl 1-(4-fluorophenyl)-4a-(thiazole-4-carbonyl)-4a,5,7,8-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline-6(4H)-carboxylate

HCID 86709999

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cscn2)C1
InChIKey
UAEQZWRRAHVGFJ-VWLOTQADSA-N
Molecular formula
C25H25FN4O3S
Average molar mass
480.6 g/mol

Names & identifiers

Preferred name
(R)-tert-butyl 1-(4-fluorophenyl)-4a-(thiazole-4-carbonyl)-4a,5,7,8-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline-6(4H)-carboxylate
IUPAC
tert-butyl (4aR)-1-(4-fluorophenyl)-4a-(1,3-thiazole-4-carbonyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-6-carboxylate

Names & synonyms

SCHEMBL15454920UAEQZWRRAHVGFJ-VWLOTQADSA-N(R)-tert-butyl 1-(4-fluorophenyl)-4a-(thiazole-4-carbonyl)-4a,5,7,8-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline-6(4H)-carboxylate

Database identifiers

PubChem CID
86709999

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

Related reactions

4 records

Compound notes

Loading…