2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide

HCID 57504246
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Basic information

Standard SMILES
COCC(Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1
InChIKey
JOUKVMFZBZNCCO-UHFFFAOYSA-N
Molecular formula
C21H19ClN6O3
Average molar mass
438.9 g/mol
Monoisotopic mass
438.1207162

Names & identifiers

Preferred name
2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide
IUPAC
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-methoxy-N-(5-methyl-2-pyridinyl)propanamide

Names & synonyms

SCHEMBL838317JOUKVMFZBZNCCO-UHFFFAOYSA-N2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide

Database identifiers

PubChem CID
57504246

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Related reactions

3 records
New reaction record

Compound notes

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2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide (HCID 57504246)｜Huagongshe