{2-dimethylcarbamoyl-6-fluoro-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-carbamic acid 2-morpholin-4-yl-ethyl Ester

HCID 57731435
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Basic information

Standard SMILES
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(NC(=O)OCCN4CCOCC4)c(C(=O)N(C)C)c3)cc12
InChIKey
JKQBJTFKDILQNS-UHFFFAOYSA-N
Molecular formula
C37H38FN5O7S
Average molar mass
715.8 g/mol

Names & identifiers

Preferred name
{2-dimethylcarbamoyl-6-fluoro-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-carbamic acid 2-morpholin-4-yl-ethyl Ester
IUPAC
2-morpholin-4-ylethyl N-[2-(dimethylcarbamoyl)-6-fluoro-4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate

Names & synonyms

SCHEMBL3562904JKQBJTFKDILQNS-UHFFFAOYSA-N{2-dimethylcarbamoyl-6-fluoro-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-carbamic acid 2-morpholin-4-yl-ethyl Ester

Database identifiers

PubChem CID
57731435

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
141 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
51

Related reactions

2 records
New reaction record

Compound notes

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