N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide

C83H85F5N22O12 — CID 157073785

About N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide

N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide (PubChem CID 157073785) has the molecular formula C83H85F5N22O12 and a molecular weight of 1677.72 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide
• PubChem CID: 157073785
• Molecular Formula: C83H85F5N22O12
• Molecular Weight: 1677.72 g/mol
• Exact Mass: 1676.66
• IUPAC Name: N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide
• SMILES: Cc1c(C(=O)C(=O)NCc2cn[nH]n2)c(C)n(C)c1C(=O)Nc1ccc(F)c(F)c1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3ccccn3)c(C)n2C)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nccn3C)c(C)n2C)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nn[nH]n3)c(C)n2C)cc1F
• InChI: InChI=1S/C23H23FN4O3.C22H24FN5O3.C19H18F2N6O3.C19H20FN7O3/c1-13-8-9-16(11-18(13)24)27-22(30)20-14(2)19(15(3)28(20)4)21(29)23(31)26-12-17-7-5-6-10-25-17;1-12-6-7-15(10-16(12)23)26-21(30)19-13(2)18(14(3)28(19)5)20(29)22(31)25-11-17-24-8-9-27(17)4;1-9-15(17(28)19(30)22-7-12-8-23-26-25-12)10(2)27(3)16(9)18(29)24-11-4-5-13(20)14(21)6-11;1-9-5-6-12(7-13(9)20)22-18(29)16-10(2)15(11(3)27(16)4)17(28)19(30)21-8-14-23-25-26-24-14/h5-11H,12H2,1-4H3,(H,26,31)(H,27,30);6-10H,11H2,1-5H3,(H,25,31)(H,26,30);4-6,8H,7H2,1-3H3,(H,22,30)(H,24,29)(H,23,25,26);5-7H,8H2,1-4H3,(H,21,30)(H,22,29)(H,23,24,25,26)
• InChIKey: ACSSPNHKOABJMR-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 447.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.72
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide (CID 157073785) is N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide is Cc1c(C(=O)C(=O)NCc2cn[nH]n2)c(C)n(C)c1C(=O)Nc1ccc(F)c(F)c1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3ccccn3)c(C)n2C)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nccn3C)c(C)n2C)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nn[nH]n3)c(C)n2C)cc1F.

What is the InChIKey of N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide?

The InChIKey is ACSSPNHKOABJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3.C22H24FN5O3.C19H18F2N6O3.C19H20FN7O3/c1-13-8-9-16(11-18(13)24)27-22(30)20-14(2)19(15(3)28(20)4)21(29)23(31)26-12-17-7-5-6-10-25-17;1-12-6-7-15(10-16(12)23)26-21(30)19-13(2)18(14(3)28(19)5)20(29)22(31)25-11-17-24-8-9-27(17)4;1-9-15(17(28)19(30)22-7-12-8-23-26-25-12)10(2)27(3)16(9)18(29)24-11-4-5-13(20)14(21)6-11;1-9-5-6-12(7-13(9)20)22-18(29)16-10(2)15(11(3)27(16)4)17(28)19(30)21-8-14-23-25-26-24-14/h5-11H,12H2,1-4H3,(H,26,31)(H,27,30);6-10H,11H2,1-5H3,(H,25,31)(H,26,30);4-6,8H,7H2,1-3H3,(H,22,30)(H,24,29)(H,23,25,26);5-7H,8H2,1-4H3,(H,21,30)(H,22,29)(H,23,24,25,26).

What are the key properties of N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide?

N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide has a molecular weight of 1677.72 g/mol, XLogP of 8.95, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-triazol-4-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]pyrrole-2-carboxamide;N-(3-fluoro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2H-tetrazol-5-ylmethylamino)acetyl]pyrrole-2-carboxamide is sourced from PubChem (CID 157073785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).