dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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

C57H66BBrF2K2N12O7 — CID 158343242

About dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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 158343242) has the molecular formula C57H66BBrF2K2N12O7 and a molecular weight of 1238.14 g/mol. Its IUPAC name is dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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: 158343242
• Molecular Formula: C57H66BBrF2K2N12O7
• Molecular Weight: 1238.14 g/mol
• Exact Mass: 1236.37
• IUPAC Name: dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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(C3CC3)n21.Cc1cn(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.Cc1cn(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C25H24F2N6O.C19H22BN3O2.C11H14BrN3O.CH2O3.CH4.2K.H/c1-13-10-32(12-28-13)24-18(22(26)27)9-17-16(5-4-6-19(17)29-24)21-20-11-31(3)25(34)14(2)33(20)23(30-21)15-7-8-15;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;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;2-1-4-3;;;;/h4-6,9-10,12,14-15,22H,7-8,11H2,1-3H3;6-12H,1-5H3;6-7H,3-5H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: ZGLIXAHLVOYBOX-UHFFFAOYSA-M
• XLogP: 3.22
• TPSA: 205.50 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1238.14
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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 158343242) is dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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(C3CC3)n21.Cc1cn(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.Cc1cn(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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 ZGLIXAHLVOYBOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H24F2N6O.C19H22BN3O2.C11H14BrN3O.CH2O3.CH4.2K.H/c1-13-10-32(12-28-13)24-18(22(26)27)9-17-16(5-4-6-19(17)29-24)21-20-11-31(3)25(34)14(2)33(20)23(30-21)15-7-8-15;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;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;2-1-4-3;;;;/h4-6,9-10,12,14-15,22H,7-8,11H2,1-3H3;6-12H,1-5H3;6-7H,3-5H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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 1238.14 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-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 158343242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).