Basic information
- Standard SMILES
CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC45CC6CC(CC(C6)C4)C5)nc3n2)CC1- InChIKey
PSGCJFMDGKOFIG-UHFFFAOYSA-N- Molecular formula
- C32H40Cl2N8O
- Average molar mass
- 623.6 g/mol
Names & identifiers
- Preferred name
- 6-Arylpyrido[2,3-d]pyrimidine deriv. 57
- IUPAC
- 1-(1-adamantyl)-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. 57CHEMBL57585BDBM3475SCHEMBL81353573-adamantan-1-yl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
Database identifiers
- PubChem CID
- 5328159
- ChEMBL
CHEMBL57585
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 914
Related reactions
1 records
Compound notes
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