5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C120H137F5N18O16 — CID 159586299

About 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159586299) has the molecular formula C120H137F5N18O16 and a molecular weight of 2182.52 g/mol. Its IUPAC name is 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159586299
• Molecular Formula: C120H137F5N18O16
• Molecular Weight: 2182.52 g/mol
• Exact Mass: 2181.04
• IUPAC Name: 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(C)CC3)n(C)c2C)ccc1F.Cc1ccc(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)cc1C.Cc1ccc(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)cn1.Cc1noc([C@H](C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1
• InChI: InChI=1S/2C25H32FN3O3.C25H26FN3O3.C23H23FN4O3.C22H24FN5O4/c2*1-14-13-18(7-8-19(14)26)28-23(31)20-15(2)21(29(6)16(20)3)22(30)24(32)27-17-9-11-25(4,5)12-10-17;1-13-7-8-18(11-14(13)2)28-25(32)23(30)22-16(4)21(17(5)29(22)6)24(31)27-19-9-10-20(26)15(3)12-19;1-12-10-16(8-9-18(12)24)26-22(30)19-14(3)20(28(5)15(19)4)21(29)23(31)27-17-7-6-13(2)25-11-17;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/h2*7-8,13,17H,9-12H2,1-6H3,(H,27,32)(H,28,31);7-12H,1-6H3,(H,27,31)(H,28,32);6-11H,1-5H3,(H,26,30)(H,27,31);7-9,12H,1-6H3,(H,24,31)(H,26,30)/t;;;;12-/m....0/s1
• InChIKey: MJQSFBUJDKYTDF-RQZVNLNJSA-N
• XLogP: 20.96
• TPSA: 452.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.52
LogP ≤ 5	20.96
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 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159586299) is 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(C)CC3)n(C)c2C)ccc1F.Cc1ccc(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)cc1C.Cc1ccc(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)cn1.Cc1noc([C@H](C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1.

What is the InChIKey of 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is MJQSFBUJDKYTDF-RQZVNLNJSA-N. The full InChI is InChI=1S/2C25H32FN3O3.C25H26FN3O3.C23H23FN4O3.C22H24FN5O4/c2*1-14-13-18(7-8-19(14)26)28-23(31)20-15(2)21(29(6)16(20)3)22(30)24(32)27-17-9-11-25(4,5)12-10-17;1-13-7-8-18(11-14(13)2)28-25(32)23(30)22-16(4)21(17(5)29(22)6)24(31)27-19-9-10-20(26)15(3)12-19;1-12-10-16(8-9-18(12)24)26-22(30)19-14(3)20(28(5)15(19)4)21(29)23(31)27-17-7-6-13(2)25-11-17;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/h2*7-8,13,17H,9-12H2,1-6H3,(H,27,32)(H,28,31);7-12H,1-6H3,(H,27,31)(H,28,32);6-11H,1-5H3,(H,26,30)(H,27,31);7-9,12H,1-6H3,(H,24,31)(H,26,30)/t;;;;12-/m....0/s1.

What are the key properties of 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2182.52 g/mol, XLogP of 20.96, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3,4-dimethylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159586299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).