Tovinontrine
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
Molecular Identity
Tovinontrine
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID: 124220601
2D Structure
Properties
C21H26N6O2
Molecular Formula
394.50
Molecular Weight
g/mol
394.2117
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
85.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
631
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TovinontrineIMR-687Tovinontrine [USAN]W248Y1AKORCK1598AF68722TOVINONTRINE [INN]UNII-W248Y1AKORCK-1598AF-68722TOVINONTRINE [WHO-DD]6-((3S,4S)-4-METHYL-1-(2-PYRIMIDINYLMETHYL)-3-PYRROLIDINYL)-3-(TETRAHYDRO-2H-PYRAN-4-YL)IMIDAZO(1,5-A)PYRAZIN-8(7H)-ONE6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-tetrahydropyran-4-yl-7H-imidazo(1,5-a)pyrazin-8-one6-((3S,4S-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-tetrahydropyran-4-yl-7H-imadazo(1,5-a)pyrazin-8-one6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one
Data from PubChem (NCBI)
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