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

C53H56BBrCl2F4K2N10O7 — CID 158991635

About dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate (PubChem CID 158991635) has the molecular formula C53H56BBrCl2F4K2N10O7 and a molecular weight of 1260.90 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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate
• PubChem CID: 158991635
• Molecular Formula: C53H56BBrCl2F4K2N10O7
• Molecular Weight: 1260.90 g/mol
• Exact Mass: 1258.22
• 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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate
• SMILES: CC(Cl)Cl.CC1C(=O)N(C)Cc2c(Br)nc(C3CC3)n21.O=CO[O-].[C-]#[N+]c1nc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cc1C(F)F.[C-]#[N+]c1nc2cccc(B3OC(C)(C)C(C)(C)O3)c2cc1C(F)F.[H-].[K+].[K+]
• InChI: InChI=1S/C22H19F2N5O.C17H17BF2N2O2.C11H14BrN3O.C2H4Cl2.CH2O3.2K.H/c1-11-22(30)28(3)10-17-18(27-21(29(11)17)12-7-8-12)13-5-4-6-16-14(13)9-15(19(23)24)20(25-2)26-16;1-16(2)17(3,4)24-18(23-16)12-7-6-8-13-10(12)9-11(14(19)20)15(21-5)22-13;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;1-2(3)4;2-1-4-3;;;/h4-6,9,11-12,19H,7-8,10H2,1,3H3;6-9,14H,1-4H3;6-7H,3-5H2,1-2H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: HGADTKHFGSUDEV-UHFFFAOYSA-M
• XLogP: 5.44
• TPSA: 178.58 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.90
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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'}

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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate (CID 158991635) is dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate is CC(Cl)Cl.CC1C(=O)N(C)Cc2c(Br)nc(C3CC3)n21.O=CO[O-].[C-]#[N+]c1nc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cc1C(F)F.[C-]#[N+]c1nc2cccc(B3OC(C)(C)C(C)(C)O3)c2cc1C(F)F.[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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate?

The InChIKey is HGADTKHFGSUDEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H19F2N5O.C17H17BF2N2O2.C11H14BrN3O.C2H4Cl2.CH2O3.2K.H/c1-11-22(30)28(3)10-17-18(27-21(29(11)17)12-7-8-12)13-5-4-6-16-14(13)9-15(19(23)24)20(25-2)26-16;1-16(2)17(3,4)24-18(23-16)12-7-6-8-13-10(12)9-11(14(19)20)15(21-5)22-13;1-6-11(16)14(2)5-8-9(12)13-10(15(6)8)7-3-4-7;1-2(3)4;2-1-4-3;;;/h4-6,9,11-12,19H,7-8,10H2,1,3H3;6-9,14H,1-4H3;6-7H,3-5H2,1-2H3;2H,1H3;1,3H;;;/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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;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-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate has a molecular weight of 1260.90 g/mol, XLogP of 5.44, 7 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-(difluoromethyl)-2-isocyanoquinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;3-(difluoromethyl)-2-isocyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate is sourced from PubChem (CID 158991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).