1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

C58H74BrClN10O4S2 — CID 158700489

About 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (PubChem CID 158700489) has the molecular formula C58H74BrClN10O4S2 and a molecular weight of 1154.79 g/mol. Its IUPAC name is 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.

Molecular Properties

• Compound Name: 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
• PubChem CID: 158700489
• Molecular Formula: C58H74BrClN10O4S2
• Molecular Weight: 1154.79 g/mol
• Exact Mass: 1152.42
• IUPAC Name: 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
• SMILES: C.C.C.C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.Cc1ncc(-c2cc3ccc(C)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1.Cc1ncc(-c2cc3ccc(C)c(Cl)c3cn2)s1
• InChI: InChI=1S/C27H29N5O2S.C14H11ClN2S.C13H18BrN3O2.4CH4/c1-15-5-6-19-11-21(23-13-28-17(3)35-23)29-12-20(19)24(15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18;1-8-3-4-10-5-12(13-7-16-9(2)18-13)17-6-11(10)14(8)15;1-8-13(18)16(2)7-10-11(14)15-12(17(8)10)9-3-5-19-6-4-9;;;;/h5-6,11-13,16,18H,7-10,14H2,1-4H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;4*1H4
• InChIKey: IHMDFNVFXKMSTK-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 146.28 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.79
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?

The IUPAC name of 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (CID 158700489) is 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.

What is the SMILES notation for 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?

The canonical SMILES for 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is C.C.C.C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.Cc1ncc(-c2cc3ccc(C)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1.Cc1ncc(-c2cc3ccc(C)c(Cl)c3cn2)s1.

What is the InChIKey of 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?

The InChIKey is IHMDFNVFXKMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S.C14H11ClN2S.C13H18BrN3O2.4CH4/c1-15-5-6-19-11-21(23-13-28-17(3)35-23)29-12-20(19)24(15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18;1-8-3-4-10-5-12(13-7-16-9(2)18-13)17-6-11(10)14(8)15;1-8-13(18)16(2)7-10-11(14)15-12(17(8)10)9-3-5-19-6-4-9;;;;/h5-6,11-13,16,18H,7-10,14H2,1-4H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;4*1H4.

What are the key properties of 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?

1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane has a molecular weight of 1154.79 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is sourced from PubChem (CID 158700489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).