Basic information
- Standard SMILES
CC(C)(C(=O)O)c1cn2nc(NCCCN3CCC(NC(c4ccccc4)c4ccccc4)CC3)ccc2n1- InChIKey
ZQUZYWUAZBXKLE-UHFFFAOYSA-N- Molecular formula
- C31H38N6O2
- Average molar mass
- 526.7 g/mol
Names & identifiers
- Preferred name
- 2-[6-[3-[4-(Diphenylmethylamino)piperidino]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropionic Acid
- IUPAC
- 2-[6-[3-[4-(benzhydrylamino)piperidin-1-yl]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL6617831ZQUZYWUAZBXKLE-UHFFFAOYSA-N2-[6-[3-[4-(diphenylmethylamino) piperidino]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropionic acid2-[6-[3-[4-(Diphenylmethylamino)piperidino]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropionic Acid
Database identifiers
- PubChem CID
- 22989397
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 742
Related reactions
3 records
Compound notes
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