(2S)-N-(5-chloropyridin-2-yl)-3-ethoxy-2-(1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide

HCID 57504378

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Basic information

Standard SMILES: CCOC[C@H](Oc1ncnc2c1cnn2-c1cccnc1C)C(=O)Nc1ccc(Cl)cn1
InChIKey: RBHTXLVBUVZOJQ-KRWDZBQOSA-N
Molecular formula: C21H20ClN7O3
Average molar mass: 453.9 g/mol
Monoisotopic mass: 453.1316152

Names & identifiers

Preferred name: (2S)-N-(5-chloropyridin-2-yl)-3-ethoxy-2-(1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide
IUPAC: (2S)-N-(5-chloro-2-pyridinyl)-3-ethoxy-2-[1-(2-methyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide

Names & synonyms

SCHEMBL839198RBHTXLVBUVZOJQ-KRWDZBQOSA-N(2S)-N-(5-chloropyridin-2-yl)-3-ethoxy-2-(1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide

Database identifiers

PubChem CID: 57504378

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 117 Å²
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 1098012As productuspto-grants-2012_03

Compound notes

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