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

C83H75BBr3Cl3F12N12O2 — CID 158383164

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

4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (PubChem CID 158383164) has the molecular formula C83H75BBr3Cl3F12N12O2 and a molecular weight of 1857.45 g/mol. Its IUPAC name is 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.

Molecular Properties

• Compound Name: 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
• PubChem CID: 158383164
• Molecular Formula: C83H75BBr3Cl3F12N12O2
• Molecular Weight: 1857.45 g/mol
• Exact Mass: 1852.27
• IUPAC Name: 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
• SMILES: C.CC1(C)OB(c2ccc(F)c3[nH]cc(Cl)c23)OC1(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]cc(Cl)c13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(C(F)(F)F)cc1F)CC2.Fc1ccc(Br)c2c(Cl)c[nH]c12.Fc1ccc(Br)c2cc[nH]c12
• InChI: InChI=1S/C30H25ClF5N5.C22H21BrF4N4.C14H16BClFNO2.C8H4BrClFN.C8H5BrFN.CH4/c1-3-16-6-5-7-17(4-2)27(16)41-28(19-8-9-22(32)26-25(19)21(31)14-37-26)20-15-40(11-10-24(20)39-41)29-23(33)12-18(13-38-29)30(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;1-13(2)14(3,4)20-15(19-13)8-5-6-10(17)12-11(8)9(16)7-18-12;9-4-1-2-6(11)8-7(4)5(10)3-12-8;9-6-1-2-7(10)8-5(6)3-4-11-8;/h5-9,12-14,37H,3-4,10-11,15H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;5-7,18H,1-4H3;1-3,12H;1-4,11H;1H4
• InChIKey: GWASUWJLKFWCGC-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 149.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1857.45
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (CID 158383164) is 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.

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

The canonical SMILES for 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is C.CC1(C)OB(c2ccc(F)c3[nH]cc(Cl)c23)OC1(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]cc(Cl)c13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(C(F)(F)F)cc1F)CC2.Fc1ccc(Br)c2c(Cl)c[nH]c12.Fc1ccc(Br)c2cc[nH]c12.

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

The InChIKey is GWASUWJLKFWCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF5N5.C22H21BrF4N4.C14H16BClFNO2.C8H4BrClFN.C8H5BrFN.CH4/c1-3-16-6-5-7-17(4-2)27(16)41-28(19-8-9-22(32)26-25(19)21(31)14-37-26)20-15-40(11-10-24(20)39-41)29-23(33)12-18(13-38-29)30(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;1-13(2)14(3,4)20-15(19-13)8-5-6-10(17)12-11(8)9(16)7-18-12;9-4-1-2-6(11)8-7(4)5(10)3-12-8;9-6-1-2-7(10)8-5(6)3-4-11-8;/h5-9,12-14,37H,3-4,10-11,15H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;5-7,18H,1-4H3;1-3,12H;1-4,11H;1H4.

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

4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane has a molecular weight of 1857.45 g/mol, XLogP of 24.62, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-chloro-7-fluoro-1H-indole;3-bromo-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-bromo-7-fluoro-1H-indole;3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-chloro-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is sourced from PubChem (CID 158383164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).