3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride

C80H80BBr2Cl2F9N16O2 — CID 160857203

About 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride

3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride (PubChem CID 160857203) has the molecular formula C80H80BBr2Cl2F9N16O2 and a molecular weight of 1710.14 g/mol. Its IUPAC name is 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride.

Molecular Properties

• Compound Name: 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride
• PubChem CID: 160857203
• Molecular Formula: C80H80BBr2Cl2F9N16O2
• Molecular Weight: 1710.14 g/mol
• Exact Mass: 1706.43
• IUPAC Name: 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CC(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CNCC2.Cl.FC(F)(F)c1cnc(Cl)nc1.OB(O)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C29H27F3N6.C22H22BrF3N4.C16H20BrN3.C8H8BNO2.C5H2ClF3N2.ClH/c1-3-18-6-5-7-19(4-2)26(18)38-27(21-8-9-24-20(14-21)10-12-33-24)23-17-37(13-11-25(23)36-38)28-34-15-22(16-35-28)29(30,31)32;1-3-13-6-5-7-14(4-2)19(13)30-20(23)17-10-15(8-9-18(17)29-30)21-27-11-16(12-28-21)22(24,25)26;1-3-11-6-5-7-12(4-2)15(11)20-16(17)13-10-18-9-8-14(13)19-20;11-9(12)7-1-2-8-6(5-7)3-4-10-8;6-4-10-1-3(2-11-4)5(7,8)9;/h5-10,12,14-16,33H,3-4,11,13,17H2,1-2H3;5-7,11-12,15H,3-4,8-10H2,1-2H3;5-7,18H,3-4,8-10H2,1-2H3;1-5,10-12H;1-2H;1H
• InChIKey: XMVCULFHPLFFRT-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 218.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.14
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride?

The IUPAC name of 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride (CID 160857203) is 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride.

What is the SMILES notation for 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride?

The canonical SMILES for 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CC(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CNCC2.Cl.FC(F)(F)c1cnc(Cl)nc1.OB(O)c1ccc2[nH]ccc2c1.

What is the InChIKey of 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride?

The InChIKey is XMVCULFHPLFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6.C22H22BrF3N4.C16H20BrN3.C8H8BNO2.C5H2ClF3N2.ClH/c1-3-18-6-5-7-19(4-2)26(18)38-27(21-8-9-24-20(14-21)10-12-33-24)23-17-37(13-11-25(23)36-38)28-34-15-22(16-35-28)29(30,31)32;1-3-13-6-5-7-14(4-2)19(13)30-20(23)17-10-15(8-9-18(17)29-30)21-27-11-16(12-28-21)22(24,25)26;1-3-11-6-5-7-12(4-2)15(11)20-16(17)13-10-18-9-8-14(13)19-20;11-9(12)7-1-2-8-6(5-7)3-4-10-8;6-4-10-1-3(2-11-4)5(7,8)9;/h5-10,12,14-16,33H,3-4,11,13,17H2,1-2H3;5-7,11-12,15H,3-4,8-10H2,1-2H3;5-7,18H,3-4,8-10H2,1-2H3;1-5,10-12H;1-2H;1H.

What are the key properties of 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride?

3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride has a molecular weight of 1710.14 g/mol, XLogP of 18.18, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-bromo-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazole;2-chloro-5-(trifluoromethyl)pyrimidine;2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid;hydrochloride is sourced from PubChem (CID 160857203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).