Basic information
- Standard SMILES
CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(Nc3cccc(CO)c3)c2C1- InChIKey
RRZWGMWMNXCZOC-UHFFFAOYSA-N- Molecular formula
- C25H24N6O3
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.19098865
Names & identifiers
- Preferred name
- 1-(4-(3-(hydroxymethyl)phenylamino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone
- IUPAC
- 1-[4-[3-(hydroxymethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
Names & synonyms
SCHEMBL2449465RRZWGMWMNXCZOC-UHFFFAOYSA-N1-(4-(3-(hydroxymethyl)phenylamino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone
Database identifiers
- PubChem CID
- 46200838
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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