5-(3-fluoro-4-(piperidin-4-yl)phenyl)-3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(C5CCNCC5)c(F)c4)cnc32)cc1- InChIKey
BGRLMOBFAFDTGI-UHFFFAOYSA-N- Molecular formula
- C35H31F2N5O2S
- Average molar mass
- 623.7 g/mol
Names & identifiers
- Preferred name
- 5-(3-fluoro-4-(piperidin-4-yl)phenyl)-3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-4-piperidin-4-ylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL15560428BGRLMOBFAFDTGI-UHFFFAOYSA-N5-(3-fluoro-4-(piperidin-4-yl)phenyl)-3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 90033713
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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