Basic information
- Standard SMILES
Cc1c(-c2ccc(OCCN3CCN(C)CC3)cc2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCN2- InChIKey
SZNMWYZMXBAUEP-UHFFFAOYSA-N- Molecular formula
- C28H32ClF2N5O
- Average molar mass
- 528 g/mol
- Monoisotopic mass
- 527.2263447
Names & identifiers
- Preferred name
- 1-(2-Chloro-3,6-difluorobenzyl)-8-methyl-7-{4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
- IUPAC
- 1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
Names & synonyms
SCHEMBL1369125SZNMWYZMXBAUEP-UHFFFAOYSA-N1-(2-chloro-3,6-difluorobenzyl)-8-methyl-7-{4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Database identifiers
- PubChem CID
- 67008236
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 708
Related reactions
1 records
Compound notes
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