Basic information
- Standard SMILES
COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1- InChIKey
LVEXBQONPVYXPA-UHFFFAOYSA-N- Molecular formula
- C29H32Cl2N8O2
- Average molar mass
- 595.5 g/mol
Names & identifiers
- Preferred name
- 6-Arylpyrido[2,3-d]pyrimidine deriv. 69
- IUPAC
- 1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-(4-methoxyphenyl)urea
Names & synonyms
CHEMBL2986796-arylpyrido[2,3-d]pyrimidine deriv. 69BDBM3487SCHEMBL8126445LVEXBQONPVYXPA-UHFFFAOYSA-N1-{6-(2,6-dichlorophenyl)-2-[3-(4-methyl-piperazin-1-yl)-propylamino]-pyrido[2,3-d]pyrimidin-7-yl}-3-(4-methoxy-phenyl)-urea3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-(4-methoxyphenyl)urea
Database identifiers
- PubChem CID
- 5328171
- ChEMBL
CHEMBL298679- Nikkaji
- J962.954H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 804
Related reactions
3 records
Linked notes
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