2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(propylsulfonyl)azetidin-3-yl)pyrimidin-4-amine

HCID 67285263
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Basic information

Standard SMILES
CCCS(=O)(=O)N1CC(Nc2nc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncc(Cl)cc34)ncc2F)C1
InChIKey
DPBSIEOCINGKLL-UHFFFAOYSA-N
Molecular formula
C24H24ClFN6O4S2
Average molar mass
579.1 g/mol

Names & identifiers

Preferred name
2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(propylsulfonyl)azetidin-3-yl)pyrimidin-4-amine
IUPAC
2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-(1-propylsulfonylazetidin-3-yl)pyrimidin-4-amine

Names & synonyms

SCHEMBL2125024DPBSIEOCINGKLL-UHFFFAOYSA-N2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(propylsulfonyl)azetidin-3-yl)pyrimidin-4-amine

Database identifiers

PubChem CID
67285263

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
144 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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