N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide

C70H80F3N11O9S — CID 157092287

About N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide (PubChem CID 157092287) has the molecular formula C70H80F3N11O9S and a molecular weight of 1308.54 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide
• PubChem CID: 157092287
• Molecular Formula: C70H80F3N11O9S
• Molecular Weight: 1308.54 g/mol
• Exact Mass: 1307.58
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC3(C)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCc3cccs3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCn3ccnc3)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H32FN3O3.C23H24FN3O3S.C22H24FN5O3/c1-15-13-18(9-10-19(15)26)28-23(31)20-16(2)21(29(5)17(20)3)22(30)24(32)27-14-25(4)11-7-6-8-12-25;1-13-12-16(7-8-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-10-9-17-6-5-11-31-17;1-13-11-16(5-6-17(13)23)26-21(30)18-14(2)19(27(4)15(18)3)20(29)22(31)25-8-10-28-9-7-24-12-28/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,27,32)(H,28,31);5-8,11-12H,9-10H2,1-4H3,(H,25,30)(H,26,29);5-7,9,11-12H,8,10H2,1-4H3,(H,25,31)(H,26,30)
• InChIKey: AEULXGDCOJWDDW-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 258.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1308.54
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide (CID 157092287) is N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC3(C)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCc3cccs3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCn3ccnc3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide?

The InChIKey is AEULXGDCOJWDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3.C23H24FN3O3S.C22H24FN5O3/c1-15-13-18(9-10-19(15)26)28-23(31)20-16(2)21(29(5)17(20)3)22(30)24(32)27-14-25(4)11-7-6-8-12-25;1-13-12-16(7-8-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-10-9-17-6-5-11-31-17;1-13-11-16(5-6-17(13)23)26-21(30)18-14(2)19(27(4)15(18)3)20(29)22(31)25-8-10-28-9-7-24-12-28/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,27,32)(H,28,31);5-8,11-12H,9-10H2,1-4H3,(H,25,30)(H,26,29);5-7,9,11-12H,8,10H2,1-4H3,(H,25,31)(H,26,30).

What are the key properties of N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide has a molecular weight of 1308.54 g/mol, XLogP of 11.09, 20 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-5-[2-(2-imidazol-1-ylethylamino)-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)methylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157092287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).