1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C161H112Br2F30N28O13S3 — CID 161337624

About 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 161337624) has the molecular formula C161H112Br2F30N28O13S3 and a molecular weight of 3472.80 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
• PubChem CID: 161337624
• Molecular Formula: C161H112Br2F30N28O13S3
• Molecular Weight: 3472.80 g/mol
• Exact Mass: 3468.60
• IUPAC Name: 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
• SMILES: Cc1csc(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)n1.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12
• InChI: InChI=1S/C21H14F6N4O2.C21H13F6N3O2.2C20H15F3N4OS.C20H14F3N3OS.C16H10BrF3N2O2.C16H11F6N3.C15H11BrN2O2.C12H9N3O2/c1-11-15(10-33-30-11)19(32)28-18-14-3-2-4-16(21(25,26)27)17(14)31(29-18)9-12-5-7-13(8-6-12)20(22,23)24;22-20(23,24)14-6-4-12(5-7-14)10-30-17-15(2-1-3-16(17)21(25,26)27)18(29-30)28-19(31)13-8-9-32-11-13;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-11-29-19(24-12)18(28)25-17-15-4-2-3-5-16(15)27(26-17)10-13-6-8-14(9-7-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;17-15(18,19)10-6-4-9(5-7-10)8-25-13-11(14(23)24-25)2-1-3-12(13)16(20,21)22;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h2-8,10H,9H2,1H3,(H,28,29,32);1-9,11H,10H2,(H,28,29,31);2*2-9,11H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,24,25,27);1-7,9H,8H2;1-7H,8H2,(H2,23,24);1-8,10H,9H2;1-7H,(H2,13,14,15,16)
• InChIKey: VMFZSIRZGPPMKW-UHFFFAOYSA-N
• XLogP: 44.15
• TPSA: 510.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3472.80
LogP ≤ 5	44.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'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;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The IUPAC name of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 161337624) is 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

What is the SMILES notation for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The canonical SMILES for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1csc(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)n1.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12.

What is the InChIKey of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The InChIKey is VMFZSIRZGPPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4O2.C21H13F6N3O2.2C20H15F3N4OS.C20H14F3N3OS.C16H10BrF3N2O2.C16H11F6N3.C15H11BrN2O2.C12H9N3O2/c1-11-15(10-33-30-11)19(32)28-18-14-3-2-4-16(21(25,26)27)17(14)31(29-18)9-12-5-7-13(8-6-12)20(22,23)24;22-20(23,24)14-6-4-12(5-7-14)10-30-17-15(2-1-3-16(17)21(25,26)27)18(29-30)28-19(31)13-8-9-32-11-13;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-11-29-19(24-12)18(28)25-17-15-4-2-3-5-16(15)27(26-17)10-13-6-8-14(9-7-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;17-15(18,19)10-6-4-9(5-7-10)8-25-13-11(14(23)24-25)2-1-3-12(13)16(20,21)22;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h2-8,10H,9H2,1H3,(H,28,29,32);1-9,11H,10H2,(H,28,29,31);2*2-9,11H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,24,25,27);1-7,9H,8H2;1-7H,8H2,(H2,23,24);1-8,10H,9H2;1-7H,(H2,13,14,15,16).

What are the key properties of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 3472.80 g/mol, XLogP of 44.15, 30 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 161337624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).