(S)-N,3-dimethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

HCID 46864563

Basic information

Standard SMILES
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)c(C)c1
InChIKey
UFGWTMXWFVFDRS-QFIPXVFZSA-N
Molecular formula
C25H32N6O2
Average molar mass
448.6 g/mol

Names & identifiers

Preferred name
(S)-N,3-dimethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
IUPAC
N,3-dimethyl-4-[4-[[(10S)-9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]benzamide

Names & synonyms

SCHEMBL708189UFGWTMXWFVFDRS-QFIPXVFZSA-N(S)-N,3-dimethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

Database identifiers

PubChem CID
46864563

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
80.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
33

Related reactions

5 records

Compound notes

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