Basic information
- Standard SMILES
NC1CCC(Nc2cc(Nc3ccon3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1- InChIKey
MJAVHIIRXBKEKQ-UHFFFAOYSA-N- Molecular formula
- C21H22FN9O2
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- 6-((trans-4-aminocyclohexyl)amino)-N-(3-fluoro-4-pyridinyl)-8-(3-isoxazolylamino)imidazo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
SCHEMBL3719701SCHEMBL3719712SCHEMBL13013461MJAVHIIRXBKEKQ-JOCQHMNTSA-N6-((trans-4-aminocyclohexyl)amino)-N-(3-fluoro-4-pyridinyl)-8-(3-isoxazolylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Database identifiers
- PubChem CID
- 59624648
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Related reactions
1 records
Compound notes
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