4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

HCID 53262158
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Basic information

Standard SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)c1F
InChIKey
CUQKHJOFCYXKSE-UHFFFAOYSA-N
Molecular formula
C30H34F2N6O5S
Average molar mass
628.7 g/mol
Monoisotopic mass
628.2279457

Names & identifiers

Preferred name
4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL2016012CUQKHJOFCYXKSE-UHFFFAOYSA-N4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
53262158

Properties

Computed structural properties

XLogP
4
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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