Basic information
- Standard SMILES
CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Br)cc4)nc3n2)CC1- InChIKey
NCBRFZSXMXIOAD-UHFFFAOYSA-N- Molecular formula
- C28H29BrCl2N8O
- Average molar mass
- 644.4 g/mol
- Monoisotopic mass
- 642.10248
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
- IUPAC
- 1-(4-bromophenyl)-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. 63BDBM3481CHEMBL444829SCHEMBL8131249NCBRFZSXMXIOAD-UHFFFAOYSA-N1-(4-bromophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea1-(4-Bromo-phenyl)-3-{6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrido[2,3-d]pyrimidin-7-yl}-urea
Database identifiers
- PubChem CID
- 5328165
- ChEMBL
CHEMBL444829- Nikkaji
- J1.564.843K
Properties
Computed structural properties
- XLogP
- 5.8
- 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
- 790
Related reactions
3 records
Compound notes
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