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Methyl 6-[(6-chloro-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

HCID 88868046
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(Cl)nc1)C2
InChIKey
UVTUABADTSDXSI-UHFFFAOYSA-N
Molecular formula
C23H20ClFN4O4S
Average molar mass
502.9 g/mol
Monoisotopic mass
502.0877822

Names & identifiers

Preferred name
Methyl 6-[(6-chloro-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate
IUPAC
methyl 6-[(6-chloro-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

Names & synonyms

SCHEMBL12004477

Database identifiers

PubChem CID
88868046

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
34
Formal charge
0
Complexity
922

Related reactions

1 records
New reaction record
HRID 125896 reaction equation
HRID 125896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes