1-(4-Fluorophenyl)-6-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carbonyl chloride
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Basic information
- Standard SMILES
O=C(Cl)C12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(N3CCC(F)C3)nc1)C2- InChIKey
LGOJOJWVFOVHFQ-UHFFFAOYSA-N- Molecular formula
- C26H24ClF2N5O3S
- Average molar mass
- 560 g/mol
- Monoisotopic mass
- 559.1256448
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-6-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carbonyl chloride
- IUPAC
- 1-(4-fluorophenyl)-6-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carbonyl chloride
Names & synonyms
SCHEMBL723937
Database identifiers
- PubChem CID
- 87148232
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
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Related reactions
1 records
Compound notes
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