Basic information
- Standard SMILES
O=C(C1CC1)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1- InChIKey
PRGJWXWJJXBRHX-UHFFFAOYSA-N- Molecular formula
- C28H28N6O3
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- cyclopropyl(4-((2-hydroxyethyl)(phenyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)methanone
- IUPAC
- cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
Names & synonyms
SCHEMBL2446331PRGJWXWJJXBRHX-UHFFFAOYSA-Ncyclopropyl(4-((2-hydroxyethyl)(phenyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)methanone
Database identifiers
- PubChem CID
- 46200511
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 754
Related reactions
2 records
Compound notes
Loading…