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

C101H112BBr2Cl2F6N21O8 — CID 160831199

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

4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride (PubChem CID 160831199) has the molecular formula C101H112BBr2Cl2F6N21O8 and a molecular weight of 2103.66 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride
• PubChem CID: 160831199
• Molecular Formula: C101H112BBr2Cl2F6N21O8
• Molecular Weight: 2103.66 g/mol
• Exact Mass: 2099.67
• IUPAC Name: 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cn[nH]c12.COc1ccc(Br)c2cn[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1
• InChI: InChI=1S/C29H28F3N7O.C24H27N5O.C21H28BrN3O2.C14H19BN2O3.C8H7BrN2O.C5H2ClF3N2.ClH/c1-4-17-7-6-8-18(5-2)26(17)39-27(20-9-10-24(40-3)25-21(20)15-35-36-25)22-16-38(12-11-23(22)37-39)28-33-13-19(14-34-28)29(30,31)32;1-4-15-7-6-8-16(5-2)23(15)29-24(19-13-25-12-11-20(19)28-29)17-9-10-21(30-3)22-18(17)14-26-27-22;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;1-13(2)14(3,4)20-15(19-13)10-6-7-11(18-5)12-9(10)8-16-17-12;1-12-7-3-2-6(9)5-4-10-11-8(5)7;6-4-10-1-3(2-11-4)5(7,8)9;/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,35,36);6-10,14,25H,4-5,11-13H2,1-3H3,(H,26,27);8-10H,6-7,11-13H2,1-5H3;6-8H,1-5H3,(H,16,17);2-4H,1H3,(H,10,11);1-2H;1H
• InChIKey: XZQWHHIEYZORRV-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 319.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.66
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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

The IUPAC name of 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride (CID 160831199) is 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride.

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

The canonical SMILES for 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cn[nH]c12.COc1ccc(Br)c2cn[nH]c12.Cl.FC(F)(F)c1cnc(Cl)nc1.

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

The InChIKey is XZQWHHIEYZORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N7O.C24H27N5O.C21H28BrN3O2.C14H19BN2O3.C8H7BrN2O.C5H2ClF3N2.ClH/c1-4-17-7-6-8-18(5-2)26(17)39-27(20-9-10-24(40-3)25-21(20)15-35-36-25)22-16-38(12-11-23(22)37-39)28-33-13-19(14-34-28)29(30,31)32;1-4-15-7-6-8-16(5-2)23(15)29-24(19-13-25-12-11-20(19)28-29)17-9-10-21(30-3)22-18(17)14-26-27-22;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;1-13(2)14(3,4)20-15(19-13)10-6-7-11(18-5)12-9(10)8-16-17-12;1-12-7-3-2-6(9)5-4-10-11-8(5)7;6-4-10-1-3(2-11-4)5(7,8)9;/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,35,36);6-10,14,25H,4-5,11-13H2,1-3H3,(H,26,27);8-10H,6-7,11-13H2,1-5H3;6-8H,1-5H3,(H,16,17);2-4H,1H3,(H,10,11);1-2H;1H.

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

4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride has a molecular weight of 2103.66 g/mol, XLogP of 21.94, 17 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-7-methoxy-1H-indazole;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-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrochloride is sourced from PubChem (CID 160831199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).