Basic information
- Standard SMILES
CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)CC1- InChIKey
JEPFUEYLCGNLKG-UHFFFAOYSA-N- Molecular formula
- C28H29Cl3N8O
- Average molar mass
- 599.9 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
- IUPAC
- 1-(4-chlorophenyl)-3-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
Names & synonyms
6-arylpyrido[2,3-d]pyrimidine deriv. 62CHEMBL58652BDBM3480SCHEMBL8123155JEPFUEYLCGNLKG-UHFFFAOYSA-N1-(4-chlorophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea1-(4-Chloro-phenyl)-3-{6-(2,6-dichlorophenyl)-2-[3-(4-methyl-piperazin-1-yl)-propylamino]-pyrido[2,3-d]pyrimidin-7-yl}-urea
Database identifiers
- PubChem CID
- 5328164
- ChEMBL
CHEMBL58652- Nikkaji
- J1.564.842B
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 788
Related reactions
3 records
Compound notes
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