magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide

C86H83BBr4Cl4F8MgN12O4 — CID 158186721

About magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide

magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide (PubChem CID 158186721) has the molecular formula C86H83BBr4Cl4F8MgN12O4 and a molecular weight of 1997.22 g/mol. Its IUPAC name is magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide.

Molecular Properties

• Compound Name: magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide
• PubChem CID: 158186721
• Molecular Formula: C86H83BBr4Cl4F8MgN12O4
• Molecular Weight: 1997.22 g/mol
• Exact Mass: 1990.20
• IUPAC Name: magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]cc(C)c13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(C(F)(F)F)cc1F)CC2.Cc1c[nH]c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c12.Cc1c[nH]c2c(Cl)ccc(Br)c12.O=[N+]([O-])c1cc(Br)ccc1Cl.[Br-].[H]/[C-]=C\C.[Mg+2]
• InChI: InChI=1S/C31H28ClF4N5.C22H21BrF4N4.C15H19BClNO2.C9H7BrClN.C6H3BrClNO2.C3H5.BrH.Mg/c1-4-18-7-6-8-19(5-2)28(18)41-29(21-9-10-23(32)27-26(21)17(3)14-37-27)22-16-40(12-11-25(22)39-41)30-24(33)13-20(15-38-30)31(34,35)36;1-3-13-6-5-7-14(4-2)19(13)31-20(23)16-12-30(9-8-18(16)29-31)21-17(24)10-15(11-28-21)22(25,26)27;1-9-8-18-13-11(17)7-6-10(12(9)13)16-19-14(2,3)15(4,5)20-16;1-5-4-12-9-7(11)3-2-6(10)8(5)9;7-4-1-2-5(8)6(3-4)9(10)11;1-3-2;;/h6-10,13-15,37H,4-5,11-12,16H2,1-3H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;6-8,18H,1-5H3;2-4,12H,1H3;1-3H;1,3H,2H3;1H;/q;;;;;-1;;+2/p-1
• InChIKey: QYUKQILMNHIUFU-UHFFFAOYSA-M
• XLogP: 22.05
• TPSA: 176.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.22
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide?

The IUPAC name of magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide (CID 158186721) is magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide.

What is the SMILES notation for magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide?

The canonical SMILES for magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]cc(C)c13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(C(F)(F)F)cc1F)CC2.Cc1c[nH]c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c12.Cc1c[nH]c2c(Cl)ccc(Br)c12.O=[N+]([O-])c1cc(Br)ccc1Cl.[Br-].[H]/[C-]=C\C.[Mg+2].

What is the InChIKey of magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide?

The InChIKey is QYUKQILMNHIUFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H28ClF4N5.C22H21BrF4N4.C15H19BClNO2.C9H7BrClN.C6H3BrClNO2.C3H5.BrH.Mg/c1-4-18-7-6-8-19(5-2)28(18)41-29(21-9-10-23(32)27-26(21)17(3)14-37-27)22-16-40(12-11-25(22)39-41)30-24(33)13-20(15-38-30)31(34,35)36;1-3-13-6-5-7-14(4-2)19(13)31-20(23)16-12-30(9-8-18(16)29-31)21-17(24)10-15(11-28-21)22(25,26)27;1-9-8-18-13-11(17)7-6-10(12(9)13)16-19-14(2,3)15(4,5)20-16;1-5-4-12-9-7(11)3-2-6(10)8(5)9;7-4-1-2-5(8)6(3-4)9(10)11;1-3-2;;/h6-10,13-15,37H,4-5,11-12,16H2,1-3H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;6-8,18H,1-5H3;2-4,12H,1H3;1-3H;1,3H,2H3;1H;/q;;;;;-1;;+2/p-1.

What are the key properties of magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide?

magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide has a molecular weight of 1997.22 g/mol, XLogP of 22.05, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-bromo-7-chloro-3-methyl-1H-indole;4-bromo-1-chloro-2-nitrobenzene;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(7-chloro-3-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;prop-1-ene;bromide is sourced from PubChem (CID 158186721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).