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

C109H117BBr3Cl2F12N21O9 — CID 158595393

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

5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride (PubChem CID 158595393) has the molecular formula C109H117BBr3Cl2F12N21O9 and a molecular weight of 2414.68 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride
• PubChem CID: 158595393
• Molecular Formula: C109H117BBr3Cl2F12N21O9
• Molecular Weight: 2414.68 g/mol
• Exact Mass: 2409.62
• IUPAC Name: 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride
• SMILES: C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1c(F)cc(B2OC(C)(C)C(C)(C)O2)c2cn[nH]c12.COc1c(F)cc(Br)c2cn[nH]c12.COc1c(F)cc(Br)cc1F.Cl.FC(F)(F)c1cnc(Cl)nc1
• InChI: InChI=1S/C29H27F4N7O.C24H26FN5O.C21H28BrN3O2.C14H18BFN2O3.C8H6BrFN2O.C7H5BrF2O.C5H2ClF3N2.CH4.ClH/c1-4-16-7-6-8-17(5-2)25(16)40-26(19-11-22(30)27(41-3)24-20(19)14-36-37-24)21-15-39(10-9-23(21)38-40)28-34-12-18(13-35-28)29(31,32)33;1-4-14-7-6-8-15(5-2)22(14)30-23(18-12-26-10-9-20(18)29-30)16-11-19(25)24(31-3)21-17(16)13-27-28-21;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)21-15(20-13)9-6-10(16)12(19-5)11-8(9)7-17-18-11;1-13-8-6(10)2-5(9)4-3-11-12-7(4)8;1-11-7-5(9)2-4(8)3-6(7)10;6-4-10-1-3(2-11-4)5(7,8)9;;/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,36,37);6-8,11,13,26H,4-5,9-10,12H2,1-3H3,(H,27,28);8-10H,6-7,11-13H2,1-5H3;6-7H,1-5H3,(H,17,18);2-3H,1H3,(H,11,12);2-3H,1H3;1-2H;1H4;1H
• InChIKey: DJCHGZSYDIAOPF-UHFFFAOYSA-N
• XLogP: 25.87
• TPSA: 329.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.68
LogP ≤ 5	25.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride (CID 158595393) is 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride.

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

The canonical SMILES for 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride is C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.COc1c(F)cc(B2OC(C)(C)C(C)(C)O2)c2cn[nH]c12.COc1c(F)cc(Br)c2cn[nH]c12.COc1c(F)cc(Br)cc1F.Cl.FC(F)(F)c1cnc(Cl)nc1.

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

The InChIKey is DJCHGZSYDIAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F4N7O.C24H26FN5O.C21H28BrN3O2.C14H18BFN2O3.C8H6BrFN2O.C7H5BrF2O.C5H2ClF3N2.CH4.ClH/c1-4-16-7-6-8-17(5-2)25(16)40-26(19-11-22(30)27(41-3)24-20(19)14-36-37-24)21-15-39(10-9-23(21)38-40)28-34-12-18(13-35-28)29(31,32)33;1-4-14-7-6-8-15(5-2)22(14)30-23(18-12-26-10-9-20(18)29-30)16-11-19(25)24(31-3)21-17(16)13-27-28-21;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)21-15(20-13)9-6-10(16)12(19-5)11-8(9)7-17-18-11;1-13-8-6(10)2-5(9)4-3-11-12-7(4)8;1-11-7-5(9)2-4(8)3-6(7)10;6-4-10-1-3(2-11-4)5(7,8)9;;/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,36,37);6-8,11,13,26H,4-5,9-10,12H2,1-3H3,(H,27,28);8-10H,6-7,11-13H2,1-5H3;6-7H,1-5H3,(H,17,18);2-3H,1H3,(H,11,12);2-3H,1H3;1-2H;1H4;1H.

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

5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride has a molecular weight of 2414.68 g/mol, XLogP of 25.87, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-6-fluoro-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-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-fluoro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;methane;hydrochloride is sourced from PubChem (CID 158595393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).