4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride

C108H128BBr2Cl2F6N17O8 — CID 161393489

About 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride

4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride (PubChem CID 161393489) has the molecular formula C108H128BBr2Cl2F6N17O8 and a molecular weight of 2147.84 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride
• PubChem CID: 161393489
• Molecular Formula: C108H128BBr2Cl2F6N17O8
• Molecular Weight: 2147.84 g/mol
• Exact Mass: 2143.79
• IUPAC Name: 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride
• SMILES: C.C.C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1ccc(Br)c2cc[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1
• InChI: InChI=1S/C30H29F3N6O.C25H28N4O.C21H28BrN3O2.C15H20BNO3.C9H8BrNO.C5H2ClF3N2.3CH4.ClH/c1-4-18-7-6-8-19(5-2)27(18)39-28(22-9-10-25(40-3)26-21(22)11-13-34-26)23-17-38(14-12-24(23)37-39)29-35-15-20(16-36-29)30(31,32)33;1-4-16-7-6-8-17(5-2)24(16)29-25(20-15-26-13-12-21(20)28-29)19-9-10-22(30-3)23-18(19)11-14-27-23;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)20-16(19-14)11-6-7-12(18-5)13-10(11)8-9-17-13;1-12-8-3-2-7(10)6-4-5-11-9(6)8;6-4-10-1-3(2-11-4)5(7,8)9;;;;/h6-11,13,15-16,34H,4-5,12,14,17H2,1-3H3;6-11,14,26-27H,4-5,12-13,15H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-9,17H,1-5H3;2-5,11H,1H3;1-2H;3*1H4;1H
• InChIKey: BOOCXXDLCOKIMO-UHFFFAOYSA-N
• XLogP: 26.27
• TPSA: 268.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2147.84
LogP ≤ 5	26.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride?

The IUPAC name of 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride (CID 161393489) is 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride.

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

The canonical SMILES for 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride is C.C.C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1ccc(Br)c2cc[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1.

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

The InChIKey is BOOCXXDLCOKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O.C25H28N4O.C21H28BrN3O2.C15H20BNO3.C9H8BrNO.C5H2ClF3N2.3CH4.ClH/c1-4-18-7-6-8-19(5-2)27(18)39-28(22-9-10-25(40-3)26-21(22)11-13-34-26)23-17-38(14-12-24(23)37-39)29-35-15-20(16-36-29)30(31,32)33;1-4-16-7-6-8-17(5-2)24(16)29-25(20-15-26-13-12-21(20)28-29)19-9-10-22(30-3)23-18(19)11-14-27-23;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)20-16(19-14)11-6-7-12(18-5)13-10(11)8-9-17-13;1-12-8-3-2-7(10)6-4-5-11-9(6)8;6-4-10-1-3(2-11-4)5(7,8)9;;;;/h6-11,13,15-16,34H,4-5,12,14,17H2,1-3H3;6-11,14,26-27H,4-5,12-13,15H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-9,17H,1-5H3;2-5,11H,1H3;1-2H;3*1H4;1H.

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

4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride has a molecular weight of 2147.84 g/mol, XLogP of 26.27, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-7-methoxy-1H-indole;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-(7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;hydrochloride is sourced from PubChem (CID 161393489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).