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

C50H56BBrK2N10O7 — CID 159904265

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

dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate (PubChem CID 159904265) has the molecular formula C50H56BBrK2N10O7 and a molecular weight of 1077.97 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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate
• PubChem CID: 159904265
• Molecular Formula: C50H56BBrK2N10O7
• Molecular Weight: 1077.97 g/mol
• Exact Mass: 1076.29
• IUPAC Name: dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate
• SMILES: C.CC1C(=O)N(C)Cc2c(Br)nc(C3CC3)n21.O=CO[O-].[C-]#[N+]c1cc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cn1.[C-]#[N+]c1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2cn1.[H-].[K+].[K+]
• InChI: InChI=1S/C21H19N5O.C16H17BN2O2.C11H14BrN3O.CH2O3.CH4.2K.H/c1-12-21(27)25(3)11-17-19(24-20(26(12)17)13-7-8-13)15-6-4-5-14-9-18(22-2)23-10-16(14)15;1-15(2)16(3,4)21-17(20-15)13-8-6-7-11-9-14(18-5)19-10-12(11)13;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;2-1-4-3;;;;/h4-6,9-10,12-13H,7-8,11H2,1,3H3;6-10H,1-4H3;6-7H,3-5H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: WDLQRFYMKNCLKS-UHFFFAOYSA-M
• XLogP: 2.39
• TPSA: 178.58 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.97
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate (CID 159904265) is dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate is C.CC1C(=O)N(C)Cc2c(Br)nc(C3CC3)n21.O=CO[O-].[C-]#[N+]c1cc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cn1.[C-]#[N+]c1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2cn1.[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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate?

The InChIKey is WDLQRFYMKNCLKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19N5O.C16H17BN2O2.C11H14BrN3O.CH2O3.CH4.2K.H/c1-12-21(27)25(3)11-17-19(24-20(26(12)17)13-7-8-13)15-6-4-5-14-9-18(22-2)23-10-16(14)15;1-15(2)16(3,4)21-17(20-15)13-8-6-7-11-9-14(18-5)19-10-12(11)13;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;2-1-4-3;;;;/h4-6,9-10,12-13H,7-8,11H2,1,3H3;6-10H,1-4H3;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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate?

dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate has a molecular weight of 1077.97 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 13 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-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate is sourced from PubChem (CID 159904265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).