N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

HCID 49821014
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Nc2ccc3c(n2)OC(c2cccnc2)CN(C)C3)ccc1-n1cnc(C)c1
InChIKey
HRCYGRGYYLNHLP-UHFFFAOYSA-N
Molecular formula
C25H26N6O2
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine
IUPAC
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-2-pyridin-3-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine

Names & synonyms

SCHEMBL3753935HRCYGRGYYLNHLP-UHFFFAOYSA-NN-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

Database identifiers

PubChem CID
49821014

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
New reaction record

Linked notes

Loading…