Basic information
- Standard SMILES
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(N5CCOCC5=O)cc4)cc23)CC[C@]1(C)N- InChIKey
QVQVXUJAIQIGGL-RLWLMLJZSA-N- Molecular formula
- C26H32N6O3
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- 4-(((1R,3S)-3-amino-2,2,3-trimethylcyclopentyl)amino)-6-(4-(3-oxo-4-morpholinyl)phenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- 4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
SCHEMBL12494261QVQVXUJAIQIGGL-RLWLMLJZSA-N4-(((1R,3S)-3-amino-2,2,3-trimethylcyclopentyl)amino)-6-(4-(3-oxo-4-morpholinyl)phenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
Database identifiers
- PubChem CID
- 68292425
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
Loading…