3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-phenoxy]-piperidine-1-carboxylic acid ethyl ester

HCID 58777599
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Basic information

Standard SMILES
CCOC(=O)N1CCCC(Oc2ccc(Nc3ncc(C(=O)c4cc(F)ccc4OC)c(N)n3)cc2)C1
InChIKey
OKXAFJLJDDXGBL-UHFFFAOYSA-N
Molecular formula
C26H28FN5O5
Average molar mass
509.5 g/mol
Monoisotopic mass
509.20744717

Names & identifiers

Preferred name
3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-phenoxy]-piperidine-1-carboxylic acid ethyl ester
IUPAC
ethyl 3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylate

Names & synonyms

SCHEMBL4349327OKXAFJLJDDXGBL-UHFFFAOYSA-N3-[4-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-phenoxy]-piperidine-1-carboxylic acid ethyl ester

Database identifiers

PubChem CID
58777599

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
129 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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