N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide

C90H103F4N23O14 — CID 159416163

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide (PubChem CID 159416163) has the molecular formula C90H103F4N23O14 and a molecular weight of 1806.95 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 159416163
• Molecular Formula: C90H103F4N23O14
• Molecular Weight: 1806.95 g/mol
• Exact Mass: 1805.80
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C3=NCN=N3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(CC(C)C)c3nn[nH]n3)n(C)c2C)ccc1F.Cc1noc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1.Cc1noc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1
• InChI: InChI=1S/C24H28FN5O4.C23H28FN7O3.C22H24FN5O4.C21H23FN6O3/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)12(3)10-16;1-11(2)9-17(21-27-29-30-28-21)26-23(34)20(32)19-13(4)18(14(5)31(19)6)22(33)25-15-7-8-16(24)12(3)10-15;1-10-9-15(7-8-16(10)23)26-20(30)17-11(2)18(28(6)13(17)4)19(29)21(31)24-12(3)22-25-14(5)27-32-22;1-10-8-14(6-7-15(10)22)26-20(30)16-11(2)17(28(5)13(16)4)18(29)21(31)25-12(3)19-23-9-24-27-19/h8-11,19H,1-7H3,(H,27,32)(H,28,33);7-8,10-11,17H,9H2,1-6H3,(H,25,33)(H,26,34)(H,27,28,29,30);7-9,12H,1-6H3,(H,24,31)(H,26,30);6-8,12H,9H2,1-5H3,(H,25,31)(H,26,30)
• InChIKey: LPENPFALGKGUQY-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 490.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.95
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

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)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide (CID 159416163) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C3=NCN=N3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(CC(C)C)c3nn[nH]n3)n(C)c2C)ccc1F.Cc1noc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1.Cc1noc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The InChIKey is LPENPFALGKGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4.C23H28FN7O3.C22H24FN5O4.C21H23FN6O3/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)12(3)10-16;1-11(2)9-17(21-27-29-30-28-21)26-23(34)20(32)19-13(4)18(14(5)31(19)6)22(33)25-15-7-8-16(24)12(3)10-15;1-10-9-15(7-8-16(10)23)26-20(30)17-11(2)18(28(6)13(17)4)19(29)21(31)24-12(3)22-25-14(5)27-32-22;1-10-8-14(6-7-15(10)22)26-20(30)16-11(2)17(28(5)13(16)4)18(29)21(31)25-12(3)19-23-9-24-27-19/h8-11,19H,1-7H3,(H,27,32)(H,28,33);7-8,10-11,17H,9H2,1-6H3,(H,25,33)(H,26,34)(H,27,28,29,30);7-9,12H,1-6H3,(H,24,31)(H,26,30);6-8,12H,9H2,1-5H3,(H,25,31)(H,26,30).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1806.95 g/mol, XLogP of 12.61, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159416163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).