4-[(3,5-difluorobenzyl)amino]-6-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxyamide
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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCc4cc(F)cc(F)c4)c(CC(N)=O)cn3)c3cccnc32)cc1- InChIKey
IIPFEDUHMFJWNH-UHFFFAOYSA-N- Molecular formula
- C28H23F2N5O3S
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.14896711
Names & identifiers
- Preferred name
- 4-[(3,5-difluorobenzyl)amino]-6-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxyamide
- IUPAC
- 2-[4-[(3,5-difluorophenyl)methylamino]-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]acetamide
Names & synonyms
4-[(3,5-difluorobenzyl)amino]-6-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxyamide4-[(3,5-difluorobenzyl)amino]-6-{1-[(4-methylphenyl)sulfonyl}-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxyamideIIPFEDUHMFJWNH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 131731007
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 934
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Related reactions
2 records
Compound notes
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