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

HCID 71285652
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nc(NCCCC(F)(F)F)c21
InChIKey
FWFMLWJBVLMQND-UHFFFAOYSA-N
Molecular formula
C25H22F5N7O
Average molar mass
531.5 g/mol
Monoisotopic mass
531.18059916

Names & identifiers

Preferred name
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(4,4,4-trifluorobutyl)amino]-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]-5,5-dimethyl-4-(4,4,4-trifluorobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one

Names & synonyms

2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(4,4,4-trifluorobutyl)amino]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL14746411

Database identifiers

PubChem CID
71285652

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
97.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

Loading…