Basic information
- Standard SMILES
CN1CCN(c2nccn3c(-c4ccnc(NCc5ccc(Cl)cc5)n4)cnc23)CC1- InChIKey
FJKSMUCMENDSIC-UHFFFAOYSA-N- Molecular formula
- C22H23ClN8
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.1734205
Names & identifiers
- Preferred name
- (4-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
- IUPAC
- N-[(4-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL12272276FJKSMUCMENDSIC-UHFFFAOYSA-N(4-chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
Database identifiers
- PubChem CID
- 66548825
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Related reactions
1 records
Compound notes
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