Linvencorvir
3-[(8aS)-7-[[(4S)-5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethylpropanoic acid
Molecular Identity
Linvencorvir
3-[(8aS)-7-[[(4S)-5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethylpropanoic acid
PubChem CID: 118354396
2D Structure
Properties
C29H35FN6O5S
Molecular Formula
598.70
Molecular Weight
g/mol
598.2374
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
156
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)F)C)C3=NC=CS3)CN4CCN5C(C4)CN(C5=O)CC(C)(C)C(=O)OIsomeric SMILES
SMILES: CCOC(=O)C1=C(NC(=N[C@H]1C2=C(C(=CC=C2)F)C)C3=NC=CS3)CN4CCN5[C@@H](C4)CN(C5=O)CC(C)(C)C(=O)OSynonyms(20)
Linvencorvir1808248-05-6RG-7907RO704938974UDO8415ORO-7049389RefChem:153583(8aS)-2,5,6,7,8,8a-hexahydro-1H-imidazo(1,5-a)pyrazin-3-oneLinvencorvir [INN]RG79073-[(8aS)-7-[[(4S)-5-Ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethylpropanoic acidImidazo(1,5-a)pyrazine-2(3H)-propanoic acid, 7-(((6S)-5-(ethoxycarbonyl)-6-(3-fluoro-2-methylphenyl)-3,6-dihydro-2-(2-thiazolyl)-4-pyrimidinyl)methyl)hexahydro-alpha,alpha-dimethyl-3-oxo-, (8aS)-Imidazo[1,5-a]pyrazine-2(3H)-propanoic acid, 7-[[(6S)-5-(ethoxycarbonyl)-6-(3-fluoro-2-methylphenyl)-3,6-dihydro-2-(2-thiazolyl)-4-pyrimidinyl]methyl]hexahydro-alpha,alpha-dimethyl-3-oxo-, (8aS)-Linvencorvir (USAN/INN)LINVENCORVIR [USAN]
Data from PubChem (NCBI)
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