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

C62H72BBrK2N14O9 — CID 159589390

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

dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate (PubChem CID 159589390) has the molecular formula C62H72BBrK2N14O9 and a molecular weight of 1326.26 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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate
• PubChem CID: 159589390
• Molecular Formula: C62H72BBrK2N14O9
• Molecular Weight: 1326.26 g/mol
• Exact Mass: 1324.42
• IUPAC Name: dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate
• SMILES: C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.O=CO[O-].[C-]#[N+]c1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)cccc2nc1-c1cnn(C)c1.[C-]#[N+]c1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2nc1-c1cnn(C)c1.[H-].[K+].[K+]
• InChI: InChI=1S/C27H27N7O2.C20H21BN4O2.C13H18BrN3O2.CH2O3.CH4.2K.H/c1-16-27(35)32(3)15-23-25(31-26(34(16)23)17-8-10-36-11-9-17)19-6-5-7-21-20(19)12-22(28-2)24(30-21)18-13-29-33(4)14-18;1-19(2)20(3,4)27-21(26-19)15-8-7-9-16-14(15)10-17(22-5)18(24-16)13-11-23-25(6)12-13;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;;;;/h5-7,12-14,16-17H,8-11,15H2,1,3-4H3;7-12H,1-4,6H3;8-9H,3-7H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: HKSQDCOWEKUHDZ-UHFFFAOYSA-M
• XLogP: 3.23
• TPSA: 232.68 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1326.26
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate (CID 159589390) is dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate is C.CC1C(=O)N(C)Cc2c(Br)nc(C3CCOCC3)n21.O=CO[O-].[C-]#[N+]c1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)cccc2nc1-c1cnn(C)c1.[C-]#[N+]c1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2nc1-c1cnn(C)c1.[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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate?

The InChIKey is HKSQDCOWEKUHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H27N7O2.C20H21BN4O2.C13H18BrN3O2.CH2O3.CH4.2K.H/c1-16-27(35)32(3)15-23-25(31-26(34(16)23)17-8-10-36-11-9-17)19-6-5-7-21-20(19)12-22(28-2)24(30-21)18-13-29-33(4)14-18;1-19(2)20(3,4)27-21(26-19)15-8-7-9-16-14(15)10-17(22-5)18(24-16)13-11-23-25(6)12-13;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;;;;/h5-7,12-14,16-17H,8-11,15H2,1,3-4H3;7-12H,1-4,6H3;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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate?

dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate has a molecular weight of 1326.26 g/mol, XLogP of 3.23, 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;hydride;1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-isocyano-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;methane;oxido formate is sourced from PubChem (CID 159589390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).