N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

HCID 68514554

Basic information

Standard SMILES
CNC(=O)c1ccc(-c2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(NC(=O)C5CCN(C)C5=O)cc4F)c23)cc1
InChIKey
UUUQKBGLEFKXAN-UHFFFAOYSA-N
Molecular formula
C34H31FN6O5
Average molar mass
622.6 g/mol
Monoisotopic mass
622.23399627

Names & identifiers

Preferred name
N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
IUPAC
N-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

Names & synonyms

SCHEMBL3107620UUUQKBGLEFKXAN-UHFFFAOYSA-NN-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamideN-(4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

Database identifiers

PubChem CID
68514554

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
46

Related reactions

4 records

Compound notes

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