1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]ethanol

HCID 86299166

Notes Reactions

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Basic information

Standard SMILES: Cc1noc(C)c1-c1ccc2nc(C(C)O)n3c2c1OC[C@@H]3c1ccccn1
InChIKey: CRUYAMLNFMHLMC-RGUGMKFQSA-N
Molecular formula: C21H20N4O3
Average molar mass: 376.4 g/mol

Names & identifiers

Preferred name: 1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]ethanol
IUPAC: 1-[(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]ethanol

Names & synonyms

1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]ethanolCHEMBL5860337SCHEMBL16037611CRUYAMLNFMHLMC-RGUGMKFQSA-NUS9624241, Example 90BDBM318544

Database identifiers

PubChem CID: 86299166
ChEMBL: CHEMBL5860337

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 566

Related reactions

1 records

New reaction record

HRID 589082As productuspto-grants-2016_01

Compound notes

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