1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

C94H65BrClF18N15O6S — CID 162021165

About 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 162021165) has the molecular formula C94H65BrClF18N15O6S and a molecular weight of 1990.04 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
• PubChem CID: 162021165
• Molecular Formula: C94H65BrClF18N15O6S
• Molecular Weight: 1990.04 g/mol
• Exact Mass: 1987.35
• IUPAC Name: 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
• SMILES: Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12
• InChI: InChI=1S/C22H14F6N2O2.C21H14ClF3N4O.C21H14F6N4OS.C15H11BrN2O2.C15H12F3N3/c23-21(24,25)15-6-4-13(5-7-15)10-30-11-18(29-20(31)14-8-9-32-12-14)16-2-1-3-17(19(16)30)22(26,27)28;22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25;1-11-17(33-10-28-11)19(32)29-18-15-7-6-14(21(25,26)27)8-16(15)31(30-18)9-12-2-4-13(5-3-12)20(22,23)24;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21/h1-9,11-12H,10H2,(H,29,31);1-11H,12H2,(H,27,28,30);2-8,10H,9H2,1H3,(H,29,30,32);1-8,10H,9H2;1-8H,9H2,(H2,19,20)
• InChIKey: YUTNWGKRDSOXHW-UHFFFAOYSA-N
• XLogP: 26.16
• TPSA: 258.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.04
LogP ≤ 5	26.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?

The IUPAC name of 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (CID 162021165) is 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.

What is the SMILES notation for 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?

The canonical SMILES for 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12.

What is the InChIKey of 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?

The InChIKey is YUTNWGKRDSOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O2.C21H14ClF3N4O.C21H14F6N4OS.C15H11BrN2O2.C15H12F3N3/c23-21(24,25)15-6-4-13(5-7-15)10-30-11-18(29-20(31)14-8-9-32-12-14)16-2-1-3-17(19(16)30)22(26,27)28;22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25;1-11-17(33-10-28-11)19(32)29-18-15-7-6-14(21(25,26)27)8-16(15)31(30-18)9-12-2-4-13(5-3-12)20(22,23)24;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21/h1-9,11-12H,10H2,(H,29,31);1-11H,12H2,(H,27,28,30);2-8,10H,9H2,1H3,(H,29,30,32);1-8,10H,9H2;1-8H,9H2,(H2,19,20).

What are the key properties of 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?

1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 1990.04 g/mol, XLogP of 26.16, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 162021165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).