4-(2-amino-6-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino}pyrimidin-4-yl)butyric acid

HCID 58733337
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Basic information

Standard SMILES
Nc1nc(CCCC(=O)O)cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1
InChIKey
HRBNJEICPNERPS-UHFFFAOYSA-N
Molecular formula
C21H19FN6O3
Average molar mass
422.4 g/mol

Names & identifiers

Preferred name
4-(2-amino-6-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino}pyrimidin-4-yl)butyric acid
IUPAC
4-[2-amino-6-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyrimidin-4-yl]butanoic acid

Names & synonyms

SCHEMBL2881774HRBNJEICPNERPS-UHFFFAOYSA-N4-(2-amino-6-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino}pyrimidin-4-yl)butyric acid

Database identifiers

PubChem CID
58733337

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
139 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
31

Related reactions

3 records
New reaction record

Compound notes

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