3-cyclopropyl-3-[4-(5-methoxy-2-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

HCID 58014655

Notes Reactions

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Basic information

Standard SMILES: COc1cnc(Nc2cccc(-c3cnco3)c2)nc1-c1cnn(C(CC#N)C2CC2)c1
InChIKey: BPPMWMWCWFUWGC-UHFFFAOYSA-N
Molecular formula: C23H21N7O2
Average molar mass: 427.5 g/mol

Names & identifiers

Preferred name: 3-cyclopropyl-3-[4-(5-methoxy-2-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
IUPAC: 3-cyclopropyl-3-[4-[5-methoxy-2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

Names & synonyms

SCHEMBL3712108BPPMWMWCWFUWGC-UHFFFAOYSA-N3-cyclopropyl-3-[4-(5-methoxy-2-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

Database identifiers

PubChem CID: 58014655

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 668

Related reactions

2 records

New reaction record

HRID 125689As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1876897As productuspto-grants-2012_11

Compound notes

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