Basic information
- Standard SMILES
COc1ccc(CN(c2cc(NC3CCOCC3)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)C2CC2)cc1- InChIKey
MHDPAQLSJMONSC-UHFFFAOYSA-N- Molecular formula
- C28H30ClN7O3
- Average molar mass
- 548 g/mol
Names & identifiers
- Preferred name
- N-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- N-(2-chloro-4-pyridinyl)-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
SCHEMBL3667219MHDPAQLSJMONSC-UHFFFAOYSA-NN-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Database identifiers
- PubChem CID
- 59624640
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 808
Related reactions
4 records
Compound notes
Loading…