dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate

C60H74BBrK2N12O9 — CID 162126382

About dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate

dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (PubChem CID 162126382) has the molecular formula C60H74BBrK2N12O9 and a molecular weight of 1276.24 g/mol. Its IUPAC name is dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate.

Molecular Properties

• Compound Name: dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
• PubChem CID: 162126382
• Molecular Formula: C60H74BBrK2N12O9
• Molecular Weight: 1276.24 g/mol
• Exact Mass: 1274.43
• IUPAC Name: dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
• SMILES: C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.Cc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)cn1.Cc1cn(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C26H28N6O2.C19H22BN3O2.C13H18BrN3O2.CH2O3.CH4.2K.H/c1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18;1-13-11-23(12-22-13)17-9-14-7-6-8-16(15(14)10-21-17)20-24-18(2,3)19(4,5)25-20;1-8-13(18)16(2)7-10-11(14)15-12(17(8)10)9-3-5-19-6-4-9;2-1-4-3;;;;/h4-6,11-13,15,17-18H,7-10,14H2,1-3H3;6-12H,1-5H3;8-9H,3-7H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: NMBODYVFVNPRJM-UHFFFAOYSA-M
• XLogP: 2.31
• TPSA: 223.96 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.24
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The IUPAC name of dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (CID 162126382) is dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate.

What is the SMILES notation for dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The canonical SMILES for dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.Cc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)cn1.Cc1cn(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The InChIKey is NMBODYVFVNPRJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H28N6O2.C19H22BN3O2.C13H18BrN3O2.CH2O3.CH4.2K.H/c1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18;1-13-11-23(12-22-13)17-9-14-7-6-8-16(15(14)10-21-17)20-24-18(2,3)19(4,5)25-20;1-8-13(18)16(2)7-10-11(14)15-12(17(8)10)9-3-5-19-6-4-9;2-1-4-3;;;;/h4-6,11-13,15,17-18H,7-10,14H2,1-3H3;6-12H,1-5H3;8-9H,3-7H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate has a molecular weight of 1276.24 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(4-methylimidazol-1-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is sourced from PubChem (CID 162126382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).