Basic information
- Standard SMILES
Cc1cc(Nc2ncnc3cnc(F)cc23)ccc1Oc1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
LFSMKHAQZLOWNT-UHFFFAOYSA-N- Molecular formula
- C25H23FN4O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.17541877
Names & identifiers
- Preferred name
- 4-[4-(6-Fluoro-pyrido[3,4-d]pyrimidin-4-ylamino)-2-methyl-phenoxy]-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[(6-fluoropyrido[3,4-d]pyrimidin-4-yl)amino]-2-methylphenoxy]benzoate
Names & synonyms
SCHEMBL4466658LFSMKHAQZLOWNT-UHFFFAOYSA-N4-[4-(6-Fluoro-pyrido[3,4-d]pyrimidin-4-ylamino)-2-methyl-phenoxy]-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69054572
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
4 records
Compound notes
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