5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C114H131F9N20O16 — CID 159492684

About 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159492684) has the molecular formula C114H131F9N20O16 and a molecular weight of 2208.41 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159492684
• Molecular Formula: C114H131F9N20O16
• Molecular Weight: 2208.41 g/mol
• Exact Mass: 2206.99
• IUPAC Name: 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nc(C(C)(F)F)n[nH]3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nc(C(C)(F)F)no3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@@H](C)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C24H30FN3O3.2C23H28FN3O3.C22H23F3N6O3.C22H22F3N5O4/c1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-12-6-7-16(10-12)26-23(30)21(28)20-14(3)19(15(4)27(20)5)22(29)25-17-8-9-18(24)13(2)11-17;1-13-12-17(10-11-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-16-8-6-5-7-9-16;1-10-8-13(6-7-14(10)23)27-19(33)16-11(2)17(31(5)12(16)3)18(32)20(34)26-9-15-28-21(30-29-15)22(4,24)25;1-10-8-13(6-7-14(10)23)27-19(32)16-11(2)17(30(5)12(16)3)18(31)20(33)26-9-15-28-21(29-34-15)22(4,24)25/h10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);8-9,11-12,16H,6-7,10H2,1-5H3,(H,25,29)(H,26,30);10-12,16H,5-9H2,1-4H3,(H,25,30)(H,26,29);6-8H,9H2,1-5H3,(H,26,34)(H,27,33)(H,28,29,30);6-8H,9H2,1-5H3,(H,26,33)(H,27,32)/t;12-,16+;;;/m.1.../s1
• InChIKey: LYJVLRNLFAJDSY-BLXRLJBXSA-N
• XLogP: 18.43
• TPSA: 481.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2208.41
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159492684) is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nc(C(C)(F)F)n[nH]3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCc3nc(C(C)(F)F)no3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@@H](C)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is LYJVLRNLFAJDSY-BLXRLJBXSA-N. The full InChI is InChI=1S/C24H30FN3O3.2C23H28FN3O3.C22H23F3N6O3.C22H22F3N5O4/c1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-12-6-7-16(10-12)26-23(30)21(28)20-14(3)19(15(4)27(20)5)22(29)25-17-8-9-18(24)13(2)11-17;1-13-12-17(10-11-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-16-8-6-5-7-9-16;1-10-8-13(6-7-14(10)23)27-19(33)16-11(2)17(31(5)12(16)3)18(32)20(34)26-9-15-28-21(30-29-15)22(4,24)25;1-10-8-13(6-7-14(10)23)27-19(32)16-11(2)17(30(5)12(16)3)18(31)20(33)26-9-15-28-21(29-34-15)22(4,24)25/h10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);8-9,11-12,16H,6-7,10H2,1-5H3,(H,25,29)(H,26,30);10-12,16H,5-9H2,1-4H3,(H,25,30)(H,26,29);6-8H,9H2,1-5H3,(H,26,34)(H,27,33)(H,28,29,30);6-8H,9H2,1-5H3,(H,26,33)(H,27,32)/t;12-,16+;;;/m.1.../s1.

What are the key properties of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2208.41 g/mol, XLogP of 18.43, 29 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-(1,1-difluoroethyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159492684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).