dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate

C68H84BBrF4K2N14O11 — CID 158338157

About dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate

dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate (PubChem CID 158338157) has the molecular formula C68H84BBrF4K2N14O11 and a molecular weight of 1518.41 g/mol. Its IUPAC name is dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate
• PubChem CID: 158338157
• Molecular Formula: C68H84BBrF4K2N14O11
• Molecular Weight: 1518.41 g/mol
• Exact Mass: 1516.49
• IUPAC Name: dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate
• SMILES: C.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CN(C(=O)OC(C)(C)C)C3)n21.CC1C(=O)N(C)Cc2c(Br)nc(C3CN(C(=O)OC(C)(C)C)C3)n21.Cn1cc(-c2nc3cccc(B4OC(C)(C)C(C)(C)O4)c3cc2C(F)F)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C30H33F2N7O3.C20H22BF2N3O2.C16H23BrN4O3.CH2O3.CH4.2K.H/c1-16-28(40)36(5)15-23-25(35-27(39(16)23)18-13-38(14-18)29(41)42-30(2,3)4)19-8-7-9-22-20(19)10-21(26(31)32)24(34-22)17-11-33-37(6)12-17;1-19(2)20(3,4)28-21(27-19)15-7-6-8-16-13(15)9-14(18(22)23)17(25-16)12-10-24-26(5)11-12;1-9-14(22)19(5)8-11-12(17)18-13(21(9)11)10-6-20(7-10)15(23)24-16(2,3)4;2-1-4-3;;;;/h7-12,16,18,26H,13-15H2,1-6H3;6-11,18H,1-5H3;9-10H,6-8H2,1-5H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: SRPYCJSLKSCOHK-UHFFFAOYSA-M
• XLogP: 4.88
• TPSA: 264.58 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1518.41
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate?

The IUPAC name of dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate (CID 158338157) is dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate.

What is the SMILES notation for dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate?

The canonical SMILES for dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate is C.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CN(C(=O)OC(C)(C)C)C3)n21.CC1C(=O)N(C)Cc2c(Br)nc(C3CN(C(=O)OC(C)(C)C)C3)n21.Cn1cc(-c2nc3cccc(B4OC(C)(C)C(C)(C)O4)c3cc2C(F)F)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate?

The InChIKey is SRPYCJSLKSCOHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H33F2N7O3.C20H22BF2N3O2.C16H23BrN4O3.CH2O3.CH4.2K.H/c1-16-28(40)36(5)15-23-25(35-27(39(16)23)18-13-38(14-18)29(41)42-30(2,3)4)19-8-7-9-22-20(19)10-21(26(31)32)24(34-22)17-11-33-37(6)12-17;1-19(2)20(3,4)28-21(27-19)15-7-6-8-16-13(15)9-14(18(22)23)17(25-16)12-10-24-26(5)11-12;1-9-14(22)19(5)8-11-12(17)18-13(21(9)11)10-6-20(7-10)15(23)24-16(2,3)4;2-1-4-3;;;;/h7-12,16,18,26H,13-15H2,1-6H3;6-11,18H,1-5H3;9-10H,6-8H2,1-5H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate?

dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate has a molecular weight of 1518.41 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 3-(1-bromo-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate;tert-butyl 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]azetidine-1-carboxylate;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;methane;oxido formate is sourced from PubChem (CID 158338157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).