Glpg-1205
9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular Identity
Glpg-1205
9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID: 71616860
2D Structure
Properties
C22H22N2O4
Molecular Formula
378.40
Molecular Weight
g/mol
378.1580
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COCCO5Isomeric SMILES
SMILES: C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OC[C@@H]5COCCO5Synonyms(20)
GLPG12051445847-37-9GLPG-1205K9WR6LRA5D4H-Pyrimido(6,1-a)isoquinolin-4-one, 9-(2-cyclopropylethynyl)-2-((2S)-1,4-dioxan-2-ylmethoxy)-6,7-dihydro-9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one9-(2-cyclopropylethynyl)-2-(((2S)-1,4-dioxan-2-yl)methoxy)-6,7-dihydropyrimido(6,1-a)isoquinolin-4-one9-cyclopropylethynyl-2-((S)-1-(1,4)dioxan-2-ylmethoxy)-6,7-dihydropyrimido(6,1-a)isoquinolin-4-one9-Cyclopropylethynyl-2-((S)-1-[1,4]dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneRefChem:1435219-(2-cyclopropylethynyl)-2-(((2S)-1,4-dioxan-2-yl)methoxy)-4H,6H,7H-pyrimido(4,3-a)isoquinolin-4-one9-(2-Cyclopropylethynyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one(S)-2-((1,4-Dioxan-2-yl)methoxy)-9-(cyclopropylethynyl)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-oneUNII-K9WR6LRA5Dorb1709598
Data from PubChem (NCBI)
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