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
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
4 records
Compound notes
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