Basic information
- Standard SMILES
COc1ccc(CN(c2cc(NC3CCSCC3)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)C2CC2)cc1- InChIKey
WBOZUSRLQFCXCC-UHFFFAOYSA-N- Molecular formula
- C28H30ClN7O2S
- Average molar mass
- 564.1 g/mol
Names & identifiers
- Preferred name
- N-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-thiopyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- N-(2-chloro-4-pyridinyl)-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-6-(thian-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
SCHEMBL3720021WBOZUSRLQFCXCC-UHFFFAOYSA-NN-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-thiopyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Database identifiers
- PubChem CID
- 59624712
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 811
Related reactions
4 records
Compound notes
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