2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

HCID 86705366

Basic information

Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nc(I)c21
InChIKey
UFSWTRYDYJIJTD-UHFFFAOYSA-N
Molecular formula
C21H15F2IN6O
Average molar mass
532.3 g/mol
Monoisotopic mass
532.03201

Names & identifiers

Preferred name
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

Names & synonyms

SCHEMBL326432UFSWTRYDYJIJTD-UHFFFAOYSA-N2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

Database identifiers

PubChem CID
86705366

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
31

Related reactions

3 records

Compound notes

Loading…