Basic information
- Standard SMILES
CCOC(=O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1- InChIKey
OHRKRHOJNKVMAQ-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N4O3
- Average molar mass
- 469.3 g/mol
Names & identifiers
- Preferred name
- 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 55
- IUPAC
- ethyl 3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzoate
Names & synonyms
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 55BDBM3088CHEMBL109547SCHEMBL6269216OHRKRHOJNKVMAQ-UHFFFAOYSA-N3-[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-benzoic acid, ethyl esterethyl 3-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}benzoate
Database identifiers
- PubChem CID
- 5327901
- ChEMBL
CHEMBL109547
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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