3-[2-{[3-(Diethylamino)propyl)amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]benzoic acid
Basic information
- Standard SMILES
CCN(CC)CCCNc1nc(-c2cccc(C(=O)O)c2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1- InChIKey
ZEBGVXFSIYFORF-UHFFFAOYSA-N- Molecular formula
- C27H27F2N5O3
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.20819606
Names & identifiers
- Preferred name
- 3-[2-{[3-(Diethylamino)propyl)amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]benzoic acid
- IUPAC
- 3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]benzoic acid
Names & synonyms
3-[2-{[3-(diethylamino)propyl)amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]benzoic acid3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]benzoic acidSCHEMBL2719441ZEBGVXFSIYFORF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57434643
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 803
Related reactions
32 records
Compound notes
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