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

HCID 57504349

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Basic information

Standard SMILES: Cc1ccc(NC(=O)[C@H](COC(C)C)Oc2ncnc3c2cnn3-c2ncccc2C)nc1
InChIKey: RSHXYKMUDDCRNZ-SFHVURJKSA-N
Molecular formula: C23H25N7O3
Average molar mass: 447.5 g/mol

Names & identifiers

Preferred name: (2S)-3-isopropoxy-N-(5-methylpyridin-2-yl)-2-(1-(3-methylpyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide
IUPAC: (2S)-N-(5-methyl-2-pyridinyl)-2-[1-(3-methyl-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-propan-2-yloxypropanamide

Names & synonyms

SCHEMBL840008RSHXYKMUDDCRNZ-SFHVURJKSA-N(2S)-3-isopropoxy-N-(5-methylpyridin-2-yl)-2-(1-(3-methylpyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide

Database identifiers

PubChem CID: 57504349

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 117 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 639

Related reactions

1 records

New reaction record

HRID 1097996As productuspto-grants-2012_03

Compound notes

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