(2S)-2-[1-(3-chloro-2-pyridyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-4-hydroxy-N-(5-methyl-2-pyridyl)butanamide

HCID 57504373
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Basic information

Standard SMILES
Cc1ccc(NC(=O)[C@H](CCO)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1
InChIKey
XCIJOAQPQWKKLY-HNNXBMFYSA-N
Molecular formula
C20H18ClN7O3
Average molar mass
439.9 g/mol

Names & identifiers

Preferred name
(2S)-2-[1-(3-chloro-2-pyridyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-4-hydroxy-N-(5-methyl-2-pyridyl)butanamide
IUPAC
(2S)-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-4-hydroxy-N-(5-methyl-2-pyridinyl)butanamide

Names & synonyms

SCHEMBL839001CHEMBL3221505XCIJOAQPQWKKLY-HNNXBMFYSA-N(2s)-2-(1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yloxy)-4-hydroxy-n-(5-methylpyridin-2-yl)butanamide(2S)-2-[1-(3-chloro-2-pyridyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-4-hydroxy-N-(5-methyl-2-pyridyl)butanamide

Database identifiers

PubChem CID
57504373
ChEMBL
CHEMBL3221505

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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