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

HCID 68514543

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(Cn2nc(C)c3c(Oc4ccc(NC(=O)C5CCNC5=O)cc4F)ccnc32)cc1
InChIKey: XDLLPMOUBGIUKX-UHFFFAOYSA-N
Molecular formula: C26H24FN5O4
Average molar mass: 489.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3107599XDLLPMOUBGIUKX-UHFFFAOYSA-NN-(4-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

Database identifiers

PubChem CID: 68514543

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 781

Related reactions

4 records

New reaction record

HRID 178518As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2241246As productuspto-grants-2010_05

HRID 2241247As reactantuspto-grants-2010_05

HRID 2321713As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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