2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid

C38H37Cl3F5N9O11S — CID 57405430

About 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid

2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid (PubChem CID 57405430) has the molecular formula C38H37Cl3F5N9O11S and a molecular weight of 1029.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
• PubChem CID: 57405430
• Molecular Formula: C38H37Cl3F5N9O11S
• Molecular Weight: 1029.18 g/mol
• Exact Mass: 1027.13
• IUPAC Name: 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
• SMILES: CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12.O=C(O)COc1nc(Cl)c(Cl)cc1Cl
• InChI: InChI=1S/C16H14F5N5O5S.C15H19N3O3.C7H4Cl3NO3/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18;1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h3-6,11H,7H2,1-2H3,(H,24,25);6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H,2H2,(H,12,13)
• InChIKey: SZLBGCFMHKWAAU-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 268.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.18
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?

The IUPAC name of 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid (CID 57405430) is 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid.

What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?

The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid is CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12.O=C(O)COc1nc(Cl)c(Cl)cc1Cl.

What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?

The InChIKey is SZLBGCFMHKWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N5O5S.C15H19N3O3.C7H4Cl3NO3/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18;1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h3-6,11H,7H2,1-2H3,(H,24,25);6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H,2H2,(H,12,13).

What are the key properties of 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?

2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid has a molecular weight of 1029.18 g/mol, XLogP of 6.74, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 57405430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).