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Basic information
- Standard SMILES
Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21- InChIKey
DCUAYYWRCHOBBW-SNVBAGLBSA-N- Molecular formula
- C17H16FIN4O4
- Average molar mass
- 486.24 g/mol
Names & identifiers
- Preferred name
- (r)-3-(2,3-Dihydroxypropyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
- IUPAC
- 3-[(2R)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
Names & synonyms
CHEMBL16840631035555-51-1(r)-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione(R)-3-(2,3-dihydroxypropyl)-5-((2-fluoro-4-iodophenyl)amino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dioneSCHEMBL1528957DCUAYYWRCHOBBW-SNVBAGLBSA-NBDBM50337920US8470837, 6
Database identifiers
- PubChem CID
- 53323815
- ChEMBL
CHEMBL1684063
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 726
Related reactions
3 records
Compound notes
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