magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride

C121H126BBr5Cl2F12IMgN19O14 — CID 158195589

About magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride

magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride (PubChem CID 158195589) has the molecular formula C121H126BBr5Cl2F12IMgN19O14 and a molecular weight of 2930.88 g/mol. Its IUPAC name is magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride
• PubChem CID: 158195589
• Molecular Formula: C121H126BBr5Cl2F12IMgN19O14
• Molecular Weight: 2930.88 g/mol
• Exact Mass: 2923.38
• IUPAC Name: magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.CI.COc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1cc(F)c(Br)c2cc[nH]c12.COc1cc(F)c(Br)cc1[N+](=O)[O-].Cl.FC(F)(F)c1cnc(Cl)nc1.O=[N+]([O-])c1cc(Br)c(F)cc1O.[Br-].[H][C-]=C.[Mg+2]
• InChI: InChI=1S/C30H28F4N6O.C25H27FN4O.C21H28BrN3O2.C15H19BFNO3.C9H7BrFNO.C7H5BrFNO3.C6H3BrFNO3.C5H2ClF3N2.C2H3.CH3I.BrH.ClH.Mg/c1-4-17-7-6-8-18(5-2)27(17)40-28(25-20-9-11-35-26(20)24(41-3)13-22(25)31)21-16-39(12-10-23(21)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)24(15)30-25(18-14-27-11-10-20(18)29-30)22-17-9-12-28-23(17)21(31-3)13-19(22)26;1-6-14-9-8-10-15(7-2)18(14)25-19(22)16-13-24(12-11-17(16)23-25)20(26)27-21(3,4)5;1-14(2)15(3,4)21-16(20-14)12-9-6-7-18-13(9)11(19-5)8-10(12)17;1-13-7-4-6(11)8(10)5-2-3-12-9(5)7;1-13-7-3-5(9)4(8)2-6(7)10(11)12;7-3-1-5(9(11)12)6(10)2-4(3)8;6-4-10-1-3(2-11-4)5(7,8)9;2*1-2;;;/h6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-8,18H,1-5H3;2-4,12H,1H3;2-3H,1H3;1-2,10H;1-2H;1H,2H2;1H3;2*1H;/q;;;;;;;;-1;;;;+2/p-1
• InChIKey: HLPSWFJBHYYREO-UHFFFAOYSA-M
• XLogP: 27.91
• TPSA: 384.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2930.88
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride?

The IUPAC name of magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride (CID 158195589) is magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride.

What is the SMILES notation for magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride?

The canonical SMILES for magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.CI.COc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1cc(F)c(Br)c2cc[nH]c12.COc1cc(F)c(Br)cc1[N+](=O)[O-].Cl.FC(F)(F)c1cnc(Cl)nc1.O=[N+]([O-])c1cc(Br)c(F)cc1O.[Br-].[H][C-]=C.[Mg+2].

What is the InChIKey of magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride?

The InChIKey is HLPSWFJBHYYREO-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H28F4N6O.C25H27FN4O.C21H28BrN3O2.C15H19BFNO3.C9H7BrFNO.C7H5BrFNO3.C6H3BrFNO3.C5H2ClF3N2.C2H3.CH3I.BrH.ClH.Mg/c1-4-17-7-6-8-18(5-2)27(17)40-28(25-20-9-11-35-26(20)24(41-3)13-22(25)31)21-16-39(12-10-23(21)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)24(15)30-25(18-14-27-11-10-20(18)29-30)22-17-9-12-28-23(17)21(31-3)13-19(22)26;1-6-14-9-8-10-15(7-2)18(14)25-19(22)16-13-24(12-11-17(16)23-25)20(26)27-21(3,4)5;1-14(2)15(3,4)21-16(20-14)12-9-6-7-18-13(9)11(19-5)8-10(12)17;1-13-7-4-6(11)8(10)5-2-3-12-9(5)7;1-13-7-3-5(9)4(8)2-6(7)10(11)12;7-3-1-5(9(11)12)6(10)2-4(3)8;6-4-10-1-3(2-11-4)5(7,8)9;2*1-2;;;/h6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-8,18H,1-5H3;2-4,12H,1H3;2-3H,1H3;1-2,10H;1-2H;1H,2H2;1H3;2*1H;/q;;;;;;;;-1;;;;+2/p-1.

What are the key properties of magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride?

magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride has a molecular weight of 2930.88 g/mol, XLogP of 27.91, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-bromo-5-fluoro-7-methoxy-1H-indole;1-bromo-2-fluoro-4-methoxy-5-nitrobenzene;4-bromo-5-fluoro-2-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethene;5-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;iodomethane;bromide;hydrochloride is sourced from PubChem (CID 158195589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).