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

C114H122BBr4Cl7F6MgN18O11 — CID 159500904

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

magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride (PubChem CID 159500904) has the molecular formula C114H122BBr4Cl7F6MgN18O11 and a molecular weight of 2637.24 g/mol. Its IUPAC name is magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride
• PubChem CID: 159500904
• Molecular Formula: C114H122BBr4Cl7F6MgN18O11
• Molecular Weight: 2637.24 g/mol
• Exact Mass: 2628.39
• IUPAC Name: magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride
• SMILES: C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1c(Cl)cc(Br)c2cc[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1.O=[N+]([O-])c1cc(Br)cc(Cl)c1O.[Br-].[H][C-]=C.[Mg+2]
• InChI: InChI=1S/C30H28ClF3N6O.C25H27ClN4O.C21H28BrN3O2.C15H19BClNO3.C9H7BrClNO.C6H3BrClNO3.C5H2ClF3N2.C2H3.CH4.BrH.ClH.Mg/c1-4-17-7-6-8-18(5-2)26(17)40-27(21-13-23(31)28(41-3)25-20(21)9-11-35-25)22-16-39(12-10-24(22)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)23(15)30-24(19-14-27-11-10-21(19)29-30)18-13-20(26)25(31-3)22-17(18)9-12-28-22;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)10-8-11(17)13(19-5)12-9(10)6-7-18-12;1-13-9-7(11)4-6(10)5-2-3-12-8(5)9;7-3-1-4(8)6(10)5(2-3)9(11)12;6-4-10-1-3(2-11-4)5(7,8)9;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;1-2,10H;1-2H;1H,2H2;1H4;2*1H;/q;;;;;;;-1;;;;+2/p-1
• InChIKey: IVMXVBZDBITAPK-UHFFFAOYSA-M
• XLogP: 27.56
• TPSA: 331.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.24
LogP ≤ 5	27.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride (CID 159500904) is magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride.

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

The canonical SMILES for magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride is C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1c(Cl)cc(Br)c2cc[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1.O=[N+]([O-])c1cc(Br)cc(Cl)c1O.[Br-].[H][C-]=C.[Mg+2].

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

The InChIKey is IVMXVBZDBITAPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H28ClF3N6O.C25H27ClN4O.C21H28BrN3O2.C15H19BClNO3.C9H7BrClNO.C6H3BrClNO3.C5H2ClF3N2.C2H3.CH4.BrH.ClH.Mg/c1-4-17-7-6-8-18(5-2)26(17)40-27(21-13-23(31)28(41-3)25-20(21)9-11-35-25)22-16-39(12-10-24(22)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)23(15)30-24(19-14-27-11-10-21(19)29-30)18-13-20(26)25(31-3)22-17(18)9-12-28-22;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)10-8-11(17)13(19-5)12-9(10)6-7-18-12;1-13-9-7(11)4-6(10)5-2-3-12-8(5)9;7-3-1-4(8)6(10)5(2-3)9(11)12;6-4-10-1-3(2-11-4)5(7,8)9;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;1-2,10H;1-2H;1H,2H2;1H4;2*1H;/q;;;;;;;-1;;;;+2/p-1.

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

magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride has a molecular weight of 2637.24 g/mol, XLogP of 27.56, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-bromo-6-chloro-7-methoxy-1H-indole;4-bromo-2-chloro-6-nitrophenol;tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;ethene;methane;bromide;hydrochloride is sourced from PubChem (CID 159500904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).