tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

HCID 71259620
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Basic information

Standard SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4-c4ccnn4C)cn(C(=O)OC(C)(C)C)c3n2)c(OC)c1
InChIKey
RHIAVZSPFVXOBB-UHFFFAOYSA-N
Molecular formula
C34H32F3N7O6S2
Average molar mass
755.8 g/mol

Names & identifiers

Preferred name
tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
IUPAC
tert-butyl 6-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylate

Names & synonyms

tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylateSCHEMBL14699220

Database identifiers

PubChem CID
71259620

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
180 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
11
Heavy atoms
52

Related reactions

2 records
New reaction record

Compound notes

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