Basic information
- Standard SMILES
COc1ccc(Cn2nc(NC3CCN(C)CC3)c3c(Oc4cc(Cl)c(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1- InChIKey
WLYYOAOHGQTFPM-UHFFFAOYSA-N- Molecular formula
- C37H33ClF2N8O4
- Average molar mass
- 727.2 g/mol
- Monoisotopic mass
- 726.2281356
Names & identifiers
- Preferred name
- N-(4-(1-(4-methoxybenzyl)-3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
- IUPAC
- N-[2-chloro-5-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[(1-methylpiperidin-4-yl)amino]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
Names & synonyms
SCHEMBL3108790WLYYOAOHGQTFPM-UHFFFAOYSA-NN-(4-(1-(4-methoxybenzyl)-3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
Database identifiers
- PubChem CID
- 68515015
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
4 records
Compound notes
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