dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C78H86B2Br2F2K2N10O13 — CID 159015632

About dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159015632) has the molecular formula C78H86B2Br2F2K2N10O13 and a molecular weight of 1669.23 g/mol. Its IUPAC name is dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159015632
• Molecular Formula: C78H86B2Br2F2K2N10O13
• Molecular Weight: 1669.23 g/mol
• Exact Mass: 1666.42
• IUPAC Name: dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C1C[C@H]2CNCCN2C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cn2cc(-c3cc4ccc(F)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)ccc2n1.Cc1cn2cc(Br)ccc2n1.O=CO[O-].O=c1oc2cc(F)ccc2cc1Br.[H-].[K+].[K+]
• InChI: InChI=1S/C24H24N4O2.C17H11FN2O2.C12H24B2O4.C9H4BrFO2.C8H7BrN2.C7H14N2.CH2O3.2K.H/c1-16-13-28-14-18(5-7-23(28)25-16)21-11-17-4-6-19(12-22(17)30-24(21)29)27-10-9-26-8-2-3-20(26)15-27;1-10-8-20-9-12(3-5-16(20)19-10)14-6-11-2-4-13(18)7-15(11)22-17(14)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-3-5-1-2-6(11)4-8(5)13-9(7)12;1-6-4-11-5-7(9)2-3-8(11)10-6;1-2-7-6-8-3-5-9(7)4-1;2-1-4-3;;;/h4-7,11-14,20H,2-3,8-10,15H2,1H3;2-9H,1H3;1-8H3;1-4H;2-5H,1H3;7-8H,1-6H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1/t20-;;;;;7-;;;;/m0....0..../s1
• InChIKey: HUYBYWOJMGXLFO-UUGGZDPPSA-M
• XLogP: 7.21
• TPSA: 250.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 5
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.23
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159015632) is dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C1C[C@H]2CNCCN2C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cn2cc(-c3cc4ccc(F)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)ccc2n1.Cc1cn2cc(Br)ccc2n1.O=CO[O-].O=c1oc2cc(F)ccc2cc1Br.[H-].[K+].[K+].

What is the InChIKey of dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HUYBYWOJMGXLFO-UUGGZDPPSA-M. The full InChI is InChI=1S/C24H24N4O2.C17H11FN2O2.C12H24B2O4.C9H4BrFO2.C8H7BrN2.C7H14N2.CH2O3.2K.H/c1-16-13-28-14-18(5-7-23(28)25-16)21-11-17-4-6-19(12-22(17)30-24(21)29)27-10-9-26-8-2-3-20(26)15-27;1-10-8-20-9-12(3-5-16(20)19-10)14-6-11-2-4-13(18)7-15(11)22-17(14)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-3-5-1-2-6(11)4-8(5)13-9(7)12;1-6-4-11-5-7(9)2-3-8(11)10-6;1-2-7-6-8-3-5-9(7)4-1;2-1-4-3;;;/h4-7,11-14,20H,2-3,8-10,15H2,1H3;2-9H,1H3;1-8H3;1-4H;2-5H,1H3;7-8H,1-6H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1/t20-;;;;;7-;;;;/m0....0..../s1.

What are the key properties of dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1669.23 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-bromo-7-fluorochromen-2-one;6-bromo-2-methylimidazo[1,2-a]pyridine;7-fluoro-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159015632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).