5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C99H130B2Br3F8N15O14 — CID 167576006

About 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167576006) has the molecular formula C99H130B2Br3F8N15O14 and a molecular weight of 2167.54 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167576006
• Molecular Formula: C99H130B2Br3F8N15O14
• Molecular Weight: 2167.54 g/mol
• Exact Mass: 2163.75
• IUPAC Name: 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.C.CC(C)(F)CN1CCC(n2cc(-c3ccc4c(c3)c(C(=O)Nc3ccc(OC(F)F)cc3)nn4C3CCCCO3)cn2)CC1.CC(C)(F)CN1CCC(n2cc(Br)cn2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Nc1ccc(OC(F)F)cc1.O=C(Nc1ccc(OC(F)F)cc1)c1nn(C2CCCCO2)c2ccc(Br)cc12.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12
• InChI: InChI=1S/C32H37F3N6O3.C20H18BrF2N3O3.C13H13BrN2O3.C12H24B2O4.C12H19BrFN3.C7H7F2NO.3CH4/c1-32(2,35)20-39-14-12-24(13-15-39)40-19-22(18-36-40)21-6-11-27-26(17-21)29(38-41(27)28-5-3-4-16-43-28)30(42)37-23-7-9-25(10-8-23)44-31(33)34;21-12-4-9-16-15(11-12)18(25-26(16)17-3-1-2-10-28-17)19(27)24-13-5-7-14(8-6-13)29-20(22)23;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2,14)9-16-5-3-11(4-6-16)17-8-10(13)7-15-17;8-7(9)11-6-3-1-5(10)2-4-6;;;/h6-11,17-19,24,28,31H,3-5,12-16,20H2,1-2H3,(H,37,42);4-9,11,17,20H,1-3,10H2,(H,24,27);4-5,7,11H,1-3,6H2,(H,17,18);1-8H3;7-8,11H,3-6,9H2,1-2H3;1-4,7H,10H2;3*1H4
• InChIKey: GNRITBPBLLMZHR-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 309.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.54
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167576006) is 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.C.CC(C)(F)CN1CCC(n2cc(-c3ccc4c(c3)c(C(=O)Nc3ccc(OC(F)F)cc3)nn4C3CCCCO3)cn2)CC1.CC(C)(F)CN1CCC(n2cc(Br)cn2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Nc1ccc(OC(F)F)cc1.O=C(Nc1ccc(OC(F)F)cc1)c1nn(C2CCCCO2)c2ccc(Br)cc12.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.

What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GNRITBPBLLMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O3.C20H18BrF2N3O3.C13H13BrN2O3.C12H24B2O4.C12H19BrFN3.C7H7F2NO.3CH4/c1-32(2,35)20-39-14-12-24(13-15-39)40-19-22(18-36-40)21-6-11-27-26(17-21)29(38-41(27)28-5-3-4-16-43-28)30(42)37-23-7-9-25(10-8-23)44-31(33)34;21-12-4-9-16-15(11-12)18(25-26(16)17-3-1-2-10-28-17)19(27)24-13-5-7-14(8-6-13)29-20(22)23;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2,14)9-16-5-3-11(4-6-16)17-8-10(13)7-15-17;8-7(9)11-6-3-1-5(10)2-4-6;;;/h6-11,17-19,24,28,31H,3-5,12-16,20H2,1-2H3,(H,37,42);4-9,11,17,20H,1-3,10H2,(H,24,27);4-5,7,11H,1-3,6H2,(H,17,18);1-8H3;7-8,11H,3-6,9H2,1-2H3;1-4,7H,10H2;3*1H4.

What are the key properties of 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2167.54 g/mol, XLogP of 24.44, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167576006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).