N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C92H95BrF8N26O7Si3 — CID 158601206

About N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 158601206) has the molecular formula C92H95BrF8N26O7Si3 and a molecular weight of 1993.09 g/mol. Its IUPAC name is N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 158601206
• Molecular Formula: C92H95BrF8N26O7Si3
• Molecular Weight: 1993.09 g/mol
• Exact Mass: 1990.62
• IUPAC Name: N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)c(C#N)c2cn1.Cn1ncnc1C(=O)Nc1cc2c(cn1)c(Br)c(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C.Cn1ncnc1C(=O)Nc1cc2c(cn1)c(C#N)c(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C.Cn1ncnc1C(=O)Nc1cc2c(cn1)cc(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C25H27F2N7O2Si.C24H27BrF2N6O2Si.C24H28F2N6O2Si.C19H13F2N7O/c1-33-24(30-14-31-33)25(35)32-21-11-20-19(13-29-21)18(12-28)22(16-7-5-6-8-17(16)23(26)27)34(20)15-36-9-10-37(2,3)4;1-32-23(29-13-30-32)24(34)31-19-11-18-17(12-28-19)20(25)21(15-7-5-6-8-16(15)22(26)27)33(18)14-35-9-10-36(2,3)4;1-31-23(28-14-29-31)24(33)30-21-12-19-16(13-27-21)11-20(17-7-5-6-8-18(17)22(25)26)32(19)15-34-9-10-35(2,3)4;1-28-18(24-9-25-28)19(29)27-15-6-14-13(8-23-15)12(7-22)16(26-14)10-4-2-3-5-11(10)17(20)21/h5-8,11,13-14,23H,9-10,15H2,1-4H3,(H,29,32,35);5-8,11-13,22H,9-10,14H2,1-4H3,(H,28,31,34);5-8,11-14,22H,9-10,15H2,1-4H3,(H,27,30,33);2-6,8-9,17,26H,1H3,(H,23,27,29)
• InChIKey: HVQVEXOYKOTZAF-UHFFFAOYSA-N
• XLogP: 20.06
• TPSA: 396.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.09
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 158601206) is N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)c(C#N)c2cn1.Cn1ncnc1C(=O)Nc1cc2c(cn1)c(Br)c(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C.Cn1ncnc1C(=O)Nc1cc2c(cn1)c(C#N)c(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C.Cn1ncnc1C(=O)Nc1cc2c(cn1)cc(-c1ccccc1C(F)F)n2COCC[Si](C)(C)C.

What is the InChIKey of N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The InChIKey is HVQVEXOYKOTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2Si.C24H27BrF2N6O2Si.C24H28F2N6O2Si.C19H13F2N7O/c1-33-24(30-14-31-33)25(35)32-21-11-20-19(13-29-21)18(12-28)22(16-7-5-6-8-17(16)23(26)27)34(20)15-36-9-10-37(2,3)4;1-32-23(29-13-30-32)24(34)31-19-11-18-17(12-28-19)20(25)21(15-7-5-6-8-16(15)22(26)27)33(18)14-35-9-10-36(2,3)4;1-31-23(28-14-29-31)24(33)30-21-12-19-16(13-27-21)11-20(17-7-5-6-8-18(17)22(25)26)32(19)15-34-9-10-35(2,3)4;1-28-18(24-9-25-28)19(29)27-15-6-14-13(8-23-15)12(7-22)16(26-14)10-4-2-3-5-11(10)17(20)21/h5-8,11,13-14,23H,9-10,15H2,1-4H3,(H,29,32,35);5-8,11-13,22H,9-10,14H2,1-4H3,(H,28,31,34);5-8,11-14,22H,9-10,15H2,1-4H3,(H,27,30,33);2-6,8-9,17,26H,1H3,(H,23,27,29).

What are the key properties of N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 1993.09 g/mol, XLogP of 20.06, 31 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158601206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).