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2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxy-N-(5-methylpyrazin-2-yl)propanamide

HCID 76550346
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOCC(Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1cnc(C)cn1
InChIKey
XQXCNHGZFDXEAL-UHFFFAOYSA-N
Molecular formula
C21H20ClN7O3
Average molar mass
453.9 g/mol
Monoisotopic mass
453.1316152

Names & identifiers

Preferred name
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxy-N-(5-methylpyrazin-2-yl)propanamide
IUPAC
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxy-N-(5-methylpyrazin-2-yl)propanamide

Database identifiers

PubChem CID
76550346

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
618

Related reactions

1 records
New reaction record
HRID 285217 reaction equation
HRID 285217As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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