5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide

C121H153F5N18O16 — CID 158960277

About 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide

5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide (PubChem CID 158960277) has the molecular formula C121H153F5N18O16 and a molecular weight of 2210.65 g/mol. Its IUPAC name is 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 158960277
• Molecular Formula: C121H153F5N18O16
• Molecular Weight: 2210.65 g/mol
• Exact Mass: 2209.16
• IUPAC Name: 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide
• SMILES: CCCOC1(CNC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCCCC1.CCN(CC)CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.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)NCCn3ccnc3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H](C)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C27H36FN3O4.C25H32FN3O3.C24H30FN3O3.C23H31FN4O3.C22H24FN5O3/c1-6-14-35-27(12-8-7-9-13-27)16-29-26(34)24(32)23-18(3)22(19(4)31(23)5)25(33)30-20-10-11-21(28)17(2)15-20;1-15-13-18(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;1-13-7-6-8-17(11-13)27-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)26-18-9-10-19(25)14(2)12-18;1-7-28(8-2)12-11-25-23(31)21(29)20-15(4)19(16(5)27(20)6)22(30)26-17-9-10-18(24)14(3)13-17;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/h10-11,15H,6-9,12-14,16H2,1-5H3,(H,29,34)(H,30,33);9-10,13H,6-8,11-12,14H2,1-5H3,(H,27,32)(H,28,31);9-10,12-13,17H,6-8,11H2,1-5H3,(H,26,30)(H,27,31);9-10,13H,7-8,11-12H2,1-6H3,(H,25,31)(H,26,30);5-7,9,11-12H,8,10H2,1-4H3,(H,25,31)(H,26,30)/t;;13-,17+;;/m..0../s1
• InChIKey: JMNLJHWHKAATNG-OEIKESFDSA-N
• XLogP: 19.12
• TPSA: 431.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.65
LogP ≤ 5	19.12
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-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide (CID 158960277) is 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide is CCCOC1(CNC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCCCC1.CCN(CC)CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.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)NCCn3ccnc3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H](C)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide?

The InChIKey is JMNLJHWHKAATNG-OEIKESFDSA-N. The full InChI is InChI=1S/C27H36FN3O4.C25H32FN3O3.C24H30FN3O3.C23H31FN4O3.C22H24FN5O3/c1-6-14-35-27(12-8-7-9-13-27)16-29-26(34)24(32)23-18(3)22(19(4)31(23)5)25(33)30-20-10-11-21(28)17(2)15-20;1-15-13-18(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;1-13-7-6-8-17(11-13)27-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)26-18-9-10-19(25)14(2)12-18;1-7-28(8-2)12-11-25-23(31)21(29)20-15(4)19(16(5)27(20)6)22(30)26-17-9-10-18(24)14(3)13-17;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/h10-11,15H,6-9,12-14,16H2,1-5H3,(H,29,34)(H,30,33);9-10,13H,6-8,11-12,14H2,1-5H3,(H,27,32)(H,28,31);9-10,12-13,17H,6-8,11H2,1-5H3,(H,26,30)(H,27,31);9-10,13H,7-8,11-12H2,1-6H3,(H,25,31)(H,26,30);5-7,9,11-12H,8,10H2,1-4H3,(H,25,31)(H,26,30)/t;;13-,17+;;/m..0../s1.

What are the key properties of 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide?

5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2210.65 g/mol, XLogP of 19.12, 36 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-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-[[(1R,3S)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-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-[(1-propoxycyclohexyl)methylamino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158960277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).