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2D Structure
Also known as: Glpg1205, Glpg-1205, 1445847-37-9, K9wr6lra5d, 9-(2-cyclopropylethynyl)-2-[[(2s)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[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-one
Molecular Formula
C22H22N2O4
Molecular Weight
378.4  g/mol
InChI Key
IRBAWVGZNJIROV-SFHVURJKSA-N
FDA UNII
K9WR6LRA5D

GLPG-1205 is under investigation in clinical trial NCT03725852 (A Clinical Study to Test How Effective and Safe GLPG1205 is for Patients With Idiopathic Pulmonary Fibrosis (IPF)).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
2.1.2 InChI
InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1
2.1.3 InChI Key
IRBAWVGZNJIROV-SFHVURJKSA-N
2.1.4 Canonical SMILES
C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COCCO5
2.1.5 Isomeric SMILES
C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OC[C@@H]5COCCO5
2.2 Other Identifiers
2.2.1 UNII
K9WR6LRA5D
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 9-cyclopropylethynyl-2-((s)-1-(1,4)dioxan-2-ylmethoxy)-6,7-dihydropyrimido(6,1-a)isoquinolin-4-one

2. Glpg1205

2.3.2 Depositor-Supplied Synonyms

1. Glpg1205

2. Glpg-1205

3. 1445847-37-9

4. K9wr6lra5d

5. 9-(2-cyclopropylethynyl)-2-[[(2s)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

6. (s)-2-((1,4-dioxan-2-yl)methoxy)-9-(cyclopropylethynyl)-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

7. Unii-k9wr6lra5d

8. Chembl3716365

9. Schembl15051377

10. Gtpl10171

11. Bdbm50548385

12. At30151

13. Db15346

14. Compound 122 [wo2013092791a1]

15. Hy-135303

16. Cs-0110898

2.4 Create Date
2013-07-29
3 Chemical and Physical Properties
Molecular Weight 378.4 g/mol
Molecular Formula C22H22N2O4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass378.15795719 g/mol
Monoisotopic Mass378.15795719 g/mol
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1