3-(3-{3-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-phenyl)-acrylonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(CNc2cc(Cn3c(C(=O)c4cccc(C=CC#N)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1- InChIKey
FDOUHOGGXQPFDO-UHFFFAOYSA-N- Molecular formula
- C31H28FN5O4
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.21253255
Names & identifiers
- Preferred name
- 3-(3-{3-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-phenyl)-acrylonitrile
- IUPAC
- 3-[3-[3-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]phenyl]prop-2-enenitrile
Names & synonyms
SCHEMBL501623FDOUHOGGXQPFDO-UHFFFAOYSA-N3-(3-{3-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-phenyl)-acrylonitrile
Database identifiers
- PubChem CID
- 66705488
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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