N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C87H79F7N22O4 — CID 161043000

About N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 161043000) has the molecular formula C87H79F7N22O4 and a molecular weight of 1629.72 g/mol. Its IUPAC name is N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
• PubChem CID: 161043000
• Molecular Formula: C87H79F7N22O4
• Molecular Weight: 1629.72 g/mol
• Exact Mass: 1628.65
• IUPAC Name: N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
• SMILES: CC(C)(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)c(F)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC(C)(C)C)c4)c3c2)n[nH]1.O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
• InChI: InChI=1S/C24H14F4N6O3.C24H28N6O.C20H20FN5.C19H17F2N5/c25-23(26)24(27,28)37-19-10-15(5-7-18(19)36-23)31-22(35)14-3-1-2-12(8-14)20-16-9-13(21-29-11-30-34-21)4-6-17(16)32-33-20;1-14(2)11-20-25-22(30-28-20)16-9-10-19-18(13-16)21(29-27-19)15-7-6-8-17(12-15)23(31)26-24(3,4)5;1-20(2,3)11-17-22-19(26-24-17)13-6-9-16-15(10-13)18(25-23-16)12-4-7-14(21)8-5-12;1-10(2)7-17-22-19(26-24-17)12-4-6-16-13(8-12)18(25-23-16)11-3-5-14(20)15(21)9-11/h1-11H,(H,31,35)(H,32,33)(H,29,30,34);6-10,12-14H,11H2,1-5H3,(H,26,31)(H,27,29)(H,25,28,30);4-10H,11H2,1-3H3,(H,23,25)(H,22,24,26);3-6,8-10H,7H2,1-2H3,(H,23,25)(H,22,24,26)
• InChIKey: UBCVVENZRWYKDK-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 357.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1629.72
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The IUPAC name of N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 161043000) is N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

What is the SMILES notation for N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The canonical SMILES for N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is CC(C)(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)c(F)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC(C)(C)C)c4)c3c2)n[nH]1.O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.

What is the InChIKey of N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The InChIKey is UBCVVENZRWYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N6O3.C24H28N6O.C20H20FN5.C19H17F2N5/c25-23(26)24(27,28)37-19-10-15(5-7-18(19)36-23)31-22(35)14-3-1-2-12(8-14)20-16-9-13(21-29-11-30-34-21)4-6-17(16)32-33-20;1-14(2)11-20-25-22(30-28-20)16-9-10-19-18(13-16)21(29-27-19)15-7-6-8-17(12-15)23(31)26-24(3,4)5;1-20(2,3)11-17-22-19(26-24-17)13-6-9-16-15(10-13)18(25-23-16)12-4-7-14(21)8-5-12;1-10(2)7-17-22-19(26-24-17)12-4-6-16-13(8-12)18(25-23-16)11-3-5-14(20)15(21)9-11/h1-11H,(H,31,35)(H,32,33)(H,29,30,34);6-10,12-14H,11H2,1-5H3,(H,26,31)(H,27,29)(H,25,28,30);4-10H,11H2,1-3H3,(H,23,25)(H,22,24,26);3-6,8-10H,7H2,1-2H3,(H,23,25)(H,22,24,26).

What are the key properties of N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 1629.72 g/mol, XLogP of 19.20, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-difluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 161043000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).