2-[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 86705367

Basic information

Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(I)c21
InChIKey
UIVUECQBCLIGMF-UHFFFAOYSA-N
Molecular formula
C21H16FIN6O
Average molar mass
514.3 g/mol
Monoisotopic mass
514.04143

Names & identifiers

Preferred name
2-[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-[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

SCHEMBL326873UIVUECQBCLIGMF-UHFFFAOYSA-N2-[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
86705367

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
30

Related reactions

19 records

Compound notes

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