Basic information
- Standard SMILES
COc1ccc(Cn2nc(N3CCN(C)CC3)c3c(Oc4ccc(NC(=O)c5ccnn(-c6ccccn6)c5=O)cc4F)ccnc32)cc1- InChIKey
PXBVSMZPWSGFMM-UHFFFAOYSA-N- Molecular formula
- C35H32FN9O4
- Average molar mass
- 661.7 g/mol
- Monoisotopic mass
- 661.2561287
Names & identifiers
- Preferred name
- N-(4-(1-(4-methoxybenzyl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-3-oxo-2-(pyridin-2-yl)-2,3-dihydropyridazine-4-carboxamide
- IUPAC
- N-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-3-oxo-2-pyridin-2-ylpyridazine-4-carboxamide
Names & synonyms
SCHEMBL3102120PXBVSMZPWSGFMM-UHFFFAOYSA-NN-(4-(1-(4-methoxybenzyl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-3-oxo-2-(pyridin-2-yl)-2,3-dihydropyridazine-4-carboxamide
Database identifiers
- PubChem CID
- 68512418
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
2 records
Compound notes
Loading…