1-(8-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2-(pyridin-3-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanone

HCID 49818783
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Basic information

Standard SMILES
COc1cc(Nc2ccc3c(n2)OC(c2cccnc2)CN(C(C)=O)C3)ccc1-n1cnc(C)c1
InChIKey
UPWVULDFQRAFMI-UHFFFAOYSA-N
Molecular formula
C26H26N6O3
Average molar mass
470.5 g/mol
Monoisotopic mass
470.20663871

Names & identifiers

Preferred name
1-(8-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2-(pyridin-3-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanone
IUPAC
1-[8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-pyridin-3-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl]ethanone

Names & synonyms

SCHEMBL3745158UPWVULDFQRAFMI-UHFFFAOYSA-N1-(8-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2-(pyridin-3-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanone

Database identifiers

PubChem CID
49818783

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
94.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
35

Related reactions

1 records
New reaction record

Linked notes

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