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

C112H118BrClF10N28O8Si4 — CID 159125805

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

N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 159125805) has the molecular formula C112H118BrClF10N28O8Si4 and a molecular weight of 2402.04 g/mol. Its IUPAC name is N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]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[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 159125805
• Molecular Formula: C112H118BrClF10N28O8Si4
• Molecular Weight: 2402.04 g/mol
• Exact Mass: 2398.75
• IUPAC Name: N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1c(-c2ccccc2C(F)F)cc2ccc(Cl)nc21.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1.Cn1ncnc1C(=O)Nc1ccc2c(C#N)c(-c3ccccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(C#N)c(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C25H27F2N7O2Si.C24H27BrF2N6O2Si.C24H28F2N6O2Si.C20H23ClF2N2OSi.C19H13F2N7O/c1-33-24(29-14-30-33)25(35)32-20-10-9-18-19(13-28)21(16-7-5-6-8-17(16)22(26)27)34(23(18)31-20)15-36-11-12-37(2,3)4;1-32-23(28-13-29-32)24(34)31-18-10-9-17-19(25)20(15-7-5-6-8-16(15)21(26)27)33(22(17)30-18)14-35-11-12-36(2,3)4;1-31-23(27-14-28-31)24(33)30-20-10-9-16-13-19(17-7-5-6-8-18(17)21(25)26)32(22(16)29-20)15-34-11-12-35(2,3)4;1-27(2,3)11-10-26-13-25-17(12-14-8-9-18(21)24-20(14)25)15-6-4-5-7-16(15)19(22)23;1-28-18(23-9-24-28)19(29)26-14-7-6-12-13(8-22)15(27-17(12)25-14)10-4-2-3-5-11(10)16(20)21/h5-10,14,22H,11-12,15H2,1-4H3,(H,31,32,35);5-10,13,21H,11-12,14H2,1-4H3,(H,30,31,34);5-10,13-14,21H,11-12,15H2,1-4H3,(H,29,30,33);4-9,12,19H,10-11,13H2,1-3H3;2-7,9,16H,1H3,(H2,25,26,27,29)
• InChIKey: KGGIXMCPEQXMOW-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 423.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.04
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]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[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 159125805) is N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]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[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]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[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is C[Si](C)(C)CCOCn1c(-c2ccccc2C(F)F)cc2ccc(Cl)nc21.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1.Cn1ncnc1C(=O)Nc1ccc2c(C#N)c(-c3ccccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(C#N)c(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)n(COCC[Si](C)(C)C)c2n1.

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

The InChIKey is KGGIXMCPEQXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2Si.C24H27BrF2N6O2Si.C24H28F2N6O2Si.C20H23ClF2N2OSi.C19H13F2N7O/c1-33-24(29-14-30-33)25(35)32-20-10-9-18-19(13-28)21(16-7-5-6-8-17(16)22(26)27)34(23(18)31-20)15-36-11-12-37(2,3)4;1-32-23(28-13-29-32)24(34)31-18-10-9-17-19(25)20(15-7-5-6-8-16(15)21(26)27)33(22(17)30-18)14-35-11-12-36(2,3)4;1-31-23(27-14-28-31)24(33)30-20-10-9-16-13-19(17-7-5-6-8-18(17)21(25)26)32(22(16)29-20)15-34-11-12-35(2,3)4;1-27(2,3)11-10-26-13-25-17(12-14-8-9-18(21)24-20(14)25)15-6-4-5-7-16(15)19(22)23;1-28-18(23-9-24-28)19(29)26-14-7-6-12-13(8-22)15(27-17(12)25-14)10-4-2-3-5-11(10)16(20)21/h5-10,14,22H,11-12,15H2,1-4H3,(H,31,32,35);5-10,13,21H,11-12,14H2,1-4H3,(H,30,31,34);5-10,13-14,21H,11-12,15H2,1-4H3,(H,29,30,33);4-9,12,19H,10-11,13H2,1-3H3;2-7,9,16H,1H3,(H2,25,26,27,29).

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

N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 2402.04 g/mol, XLogP of 26.66, 38 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[[6-chloro-2-[2-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-cyano-2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 159125805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).