N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide

C121H100Cl2F13N29O6 — CID 158865571

About N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide

N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 158865571) has the molecular formula C121H100Cl2F13N29O6 and a molecular weight of 2374.21 g/mol. Its IUPAC name is N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 158865571
• Molecular Formula: C121H100Cl2F13N29O6
• Molecular Weight: 2374.21 g/mol
• Exact Mass: 2371.76
• IUPAC Name: N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1cc2c(C(C)(C)C)c(-c3ccccc3C)[nH]c2cc1NC(=O)c1ccnn1C.Cc1cc2cc(-c3ccccc3C(F)(F)F)[nH]c2cc1NC(=O)c1ncnn1C.Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3ccccc3C(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2c1
• InChI: InChI=1S/C25H28N4O.C20H16F3N5O.C19H13ClF3N5O.C19H14ClF2N5O.C19H14F3N5O.C19H15F2N5O/c1-15-9-7-8-10-17(15)23-22(25(3,4)5)18-13-16(2)19(14-20(18)27-23)28-24(30)21-11-12-26-29(21)6;1-11-7-12-8-17(13-5-3-4-6-14(13)20(21,22)23)26-16(12)9-15(11)27-19(29)18-24-10-25-28(18)2;1-28-17(24-9-25-28)18(29)26-12-4-2-10-6-16(27-15(10)8-12)13-7-11(20)3-5-14(13)19(21,22)23;1-27-18(23-9-24-27)19(28)25-10-6-7-13-14(8-10)26-16(15(13)20)11-4-2-3-5-12(11)17(21)22;1-27-18(23-9-24-27)19(28)25-12-4-2-10-6-16(26-15(10)8-12)14-7-11(20)3-5-13(14)17(21)22;1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h7-14,27H,1-6H3,(H,28,30);3-10,26H,1-2H3,(H,27,29);2-9,27H,1H3,(H,26,29);2*2-9,17,26H,1H3,(H,25,28);2-10,17,25H,1H3,(H,24,27)
• InChIKey: JBEMVJZNLSXUSC-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 440.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2374.21
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (CID 158865571) is N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is Cc1cc2c(C(C)(C)C)c(-c3ccccc3C)[nH]c2cc1NC(=O)c1ccnn1C.Cc1cc2cc(-c3ccccc3C(F)(F)F)[nH]c2cc1NC(=O)c1ncnn1C.Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3ccccc3C(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2c1.

What is the InChIKey of N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?

The InChIKey is JBEMVJZNLSXUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C20H16F3N5O.C19H13ClF3N5O.C19H14ClF2N5O.C19H14F3N5O.C19H15F2N5O/c1-15-9-7-8-10-17(15)23-22(25(3,4)5)18-13-16(2)19(14-20(18)27-23)28-24(30)21-11-12-26-29(21)6;1-11-7-12-8-17(13-5-3-4-6-14(13)20(21,22)23)26-16(12)9-15(11)27-19(29)18-24-10-25-28(18)2;1-28-17(24-9-25-28)18(29)26-12-4-2-10-6-16(27-15(10)8-12)13-7-11(20)3-5-14(13)19(21,22)23;1-27-18(23-9-24-27)19(28)25-10-6-7-13-14(8-10)26-16(15(13)20)11-4-2-3-5-12(11)17(21)22;1-27-18(23-9-24-27)19(28)25-12-4-2-10-6-16(26-15(10)8-12)14-7-11(20)3-5-13(14)17(21)22;1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h7-14,27H,1-6H3,(H,28,30);3-10,26H,1-2H3,(H,27,29);2-9,27H,1H3,(H,26,29);2*2-9,17,26H,1H3,(H,25,28);2-10,17,25H,1H3,(H,24,27).

What are the key properties of N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?

N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 2374.21 g/mol, XLogP of 28.42, 21 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-5-methyl-2-(2-methylphenyl)-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158865571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).