dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate

C92H139BBr6K2N14O26 — CID 159074613

About dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate

dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate (PubChem CID 159074613) has the molecular formula C92H139BBr6K2N14O26 and a molecular weight of 2425.63 g/mol. Its IUPAC name is dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate.

Molecular Properties

• Compound Name: dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate
• PubChem CID: 159074613
• Molecular Formula: C92H139BBr6K2N14O26
• Molecular Weight: 2425.63 g/mol
• Exact Mass: 2418.45
• IUPAC Name: dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate
• SMILES: CC(=O)O.CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C.CC1(C)OB(C2=CCOCC2)OC1(C)C.COC(=O)c1c(Br)nc(Br)n1CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)CBr.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn2c(Br)nc(Br)c2c(=O)[nH]1.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn2c(C3=CCOCC3)nc(Br)c2c(=O)[nH]1.N.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H27BrN4O4.C17H23Br2N3O5.C16H20Br2N4O3.C12H20BrNO3.C12H21NO3.C11H19BO3.C2H4O2.CH2O3.2K.H3N.H/c1-12-9-25(20(28)30-21(2,3)4)10-14(12)15-11-26-16(19(27)23-15)17(22)24-18(26)13-5-7-29-8-6-13;1-9-6-21(16(25)27-17(2,3)4)7-10(9)11(23)8-22-12(14(24)26-5)13(18)20-15(22)19;1-8-5-21(15(24)25-16(2,3)4)6-9(8)10-7-22-11(13(23)19-10)12(17)20-14(22)18;1-8-6-14(7-9(8)10(15)5-13)11(16)17-12(2,3)4;1-8-6-13(7-10(8)9(2)14)11(15)16-12(3,4)5;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;1-2(3)4;2-1-4-3;;;;/h5,11-12,14H,6-10H2,1-4H3,(H,23,27);9-10H,6-8H2,1-5H3;7-9H,5-6H2,1-4H3,(H,19,23);8-9H,5-7H2,1-4H3;8,10H,6-7H2,1-5H3;5H,6-8H2,1-4H3;1H3,(H,3,4);1,3H;;;1H3;/q;;;;;;;;2*+1;;-1/p-1/t12-,14-;9-,10-;2*8-,9-;8-,10-;;;;;;;/m10111......./s1
• InChIKey: FLWKNGNRJOWRFY-RAUFQGARSA-M
• XLogP: 9.65
• TPSA: 501.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.63
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate?

The IUPAC name of dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate (CID 159074613) is dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate.

What is the SMILES notation for dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate?

The canonical SMILES for dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate is CC(=O)O.CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C.CC1(C)OB(C2=CCOCC2)OC1(C)C.COC(=O)c1c(Br)nc(Br)n1CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)CBr.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn2c(Br)nc(Br)c2c(=O)[nH]1.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn2c(C3=CCOCC3)nc(Br)c2c(=O)[nH]1.N.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate?

The InChIKey is FLWKNGNRJOWRFY-RAUFQGARSA-M. The full InChI is InChI=1S/C21H27BrN4O4.C17H23Br2N3O5.C16H20Br2N4O3.C12H20BrNO3.C12H21NO3.C11H19BO3.C2H4O2.CH2O3.2K.H3N.H/c1-12-9-25(20(28)30-21(2,3)4)10-14(12)15-11-26-16(19(27)23-15)17(22)24-18(26)13-5-7-29-8-6-13;1-9-6-21(16(25)27-17(2,3)4)7-10(9)11(23)8-22-12(14(24)26-5)13(18)20-15(22)19;1-8-5-21(15(24)25-16(2,3)4)6-9(8)10-7-22-11(13(23)19-10)12(17)20-14(22)18;1-8-6-14(7-9(8)10(15)5-13)11(16)17-12(2,3)4;1-8-6-13(7-10(8)9(2)14)11(15)16-12(3,4)5;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;1-2(3)4;2-1-4-3;;;;/h5,11-12,14H,6-10H2,1-4H3,(H,23,27);9-10H,6-8H2,1-5H3;7-9H,5-6H2,1-4H3,(H,19,23);8-9H,5-7H2,1-4H3;8,10H,6-7H2,1-5H3;5H,6-8H2,1-4H3;1H3,(H,3,4);1,3H;;;1H3;/q;;;;;;;;2*+1;;-1/p-1/t12-,14-;9-,10-;2*8-,9-;8-,10-;;;;;;;/m10111......./s1.

What are the key properties of dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate?

dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate has a molecular weight of 2425.63 g/mol, XLogP of 9.65, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;acetic acid;azane;tert-butyl (3S,4S)-3-acetyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methyl 2,5-dibromo-3-[2-[(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxoethyl]imidazole-4-carboxylate;oxido formate is sourced from PubChem (CID 159074613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).