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

HCID 90409181
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Basic information

Standard SMILES
Cc1noc(C)c1-c1ccc2nc(N3CCC(C)(O)C3)n3c2c1OC[C@@H]3c1ccccn1
InChIKey
GGDIMFIZVYXJGX-PHSANKKPSA-N
Molecular formula
C24H25N5O3
Average molar mass
431.5 g/mol
Monoisotopic mass
431.19573968

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]-3-methylpyrrolidin-3-ol
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]-3-methylpyrrolidin-3-ol

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]-3-methylpyrrolidin-3-olCHEMBL6027985SCHEMBL16036236GGDIMFIZVYXJGX-PHSANKKPSA-NBDBM318603US9624241, Example 146AUS10464947, Example 146A

Database identifiers

PubChem CID
90409181
ChEMBL
CHEMBL6027985

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
89.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
32

Related reactions

1 records
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Compound notes

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