2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide

HCID 57731478

Basic information

Standard SMILES
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N)c(C(=O)N(C)C)c3)cc12
InChIKey
HEJRTPBFDFGJNC-UHFFFAOYSA-N
Molecular formula
C30H27FN4O4S
Average molar mass
558.6 g/mol
Monoisotopic mass
558.17370469

Names & identifiers

Preferred name
2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide
IUPAC
2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

Names & synonyms

SCHEMBL3566926HEJRTPBFDFGJNC-UHFFFAOYSA-N2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide

Database identifiers

PubChem CID
57731478

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
40

Related reactions

10 records

Compound notes

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