1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

HCID 69001059

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1
InChIKey
HXCDOKHOBCCCGJ-UHFFFAOYSA-N
Molecular formula
C23H24BrN3O4S
Average molar mass
518.4 g/mol
Monoisotopic mass
517.06709

Names & identifiers

Preferred name
1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate
IUPAC
tert-butyl 4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

SCHEMBL4318186HXCDOKHOBCCCGJ-UHFFFAOYSA-NDB-1738681,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1 (2H)-pyridinecarboxylate1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate942920-20-9Tert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydropyridine-1(2h)-carboxylatetert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Database identifiers

PubChem CID
69001059

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
89.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

6 records

Linked notes

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