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

C87H95BBr2Cl7F3N14O2 — CID 158735190

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

3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride (PubChem CID 158735190) has the molecular formula C87H95BBr2Cl7F3N14O2 and a molecular weight of 1844.60 g/mol. Its IUPAC name is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride.

Molecular Properties

• Compound Name: 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride
• PubChem CID: 158735190
• Molecular Formula: C87H95BBr2Cl7F3N14O2
• Molecular Weight: 1844.60 g/mol
• Exact Mass: 1838.40
• IUPAC Name: 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride
• SMILES: C.C.CC1(C)OB(c2ccc(F)c3[nH]ccc23)OC1(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1Cl)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CNCC2.Cl.Fc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C29H26Cl2FN5.C21H21BrCl2N4.C16H20BrN3.C14H17BFNO2.C5H2Cl2FN.2CH4.ClH/c1-3-17-6-5-7-18(4-2)27(17)37-28(21-8-9-24(32)26-20(21)10-12-33-26)22-16-36(13-11-25(22)35-37)29-23(31)14-19(30)15-34-29;1-3-13-6-5-7-14(4-2)19(13)28-20(22)16-12-27(9-8-18(16)26-28)21-17(24)10-15(23)11-25-21;1-3-11-6-5-7-12(4-2)15(11)20-16(17)13-10-18-9-8-14(13)19-20;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12;6-3-1-4(7)5(8)9-2-3;;;/h5-10,12,14-15,33H,3-4,11,13,16H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;5-7,18H,3-4,8-10H2,1-2H3;5-8,17H,1-4H3;1-2H;2*1H4;1H
• InChIKey: WHSUNHQYEQGDHR-UHFFFAOYSA-N
• XLogP: 23.81
• TPSA: 160.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.60
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride (CID 158735190) is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride.

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

The canonical SMILES for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride is C.C.CC1(C)OB(c2ccc(F)c3[nH]ccc23)OC1(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1Cl)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CNCC2.Cl.Fc1ncc(Cl)cc1Cl.

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

The InChIKey is WHSUNHQYEQGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2FN5.C21H21BrCl2N4.C16H20BrN3.C14H17BFNO2.C5H2Cl2FN.2CH4.ClH/c1-3-17-6-5-7-18(4-2)27(17)37-28(21-8-9-24(32)26-20(21)10-12-33-26)22-16-36(13-11-25(22)35-37)29-23(31)14-19(30)15-34-29;1-3-13-6-5-7-14(4-2)19(13)28-20(22)16-12-27(9-8-18(16)26-28)21-17(24)10-15(23)11-25-21;1-3-11-6-5-7-12(4-2)15(11)20-16(17)13-10-18-9-8-14(13)19-20;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12;6-3-1-4(7)5(8)9-2-3;;;/h5-10,12,14-15,33H,3-4,11,13,16H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;5-7,18H,3-4,8-10H2,1-2H3;5-8,17H,1-4H3;1-2H;2*1H4;1H.

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

3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride has a molecular weight of 1844.60 g/mol, XLogP of 23.81, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;hydrochloride is sourced from PubChem (CID 158735190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).