5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)

C117H143F6N17O20 — CID 158565102

About 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)

5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide) (PubChem CID 158565102) has the molecular formula C117H143F6N17O20 and a molecular weight of 2221.52 g/mol. Its IUPAC name is 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide).

Molecular Properties

• Compound Name: 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)
• PubChem CID: 158565102
• Molecular Formula: C117H143F6N17O20
• Molecular Weight: 2221.52 g/mol
• Exact Mass: 2220.06
• IUPAC Name: 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)
• SMILES: CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(C)(F)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(N)=O)C3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](CO)C(C)C)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H31FN4O4.C24H28F2N4O4.2C23H28FN3O4.C22H28FN3O4/c1-13-12-17(10-11-18(13)26)28-24(33)19-14(2)21(30(4)15(19)3)22(31)25(34)29-20(23(27)32)16-8-6-5-7-9-16;1-12-9-15(7-8-16(12)25)28-20(32)17-13(2)18(30(6)14(17)3)19(31)21(33)29-24(22(34)27-5)10-23(4,26)11-24;2*1-11(2)19(15(6)28)26-23(31)21(29)20-13(4)18(14(5)27(20)7)22(30)25-16-8-9-17(24)12(3)10-16;1-11(2)17(10-27)25-22(30)20(28)19-13(4)18(14(5)26(19)6)21(29)24-15-7-8-16(23)12(3)9-15/h10-12,16,20H,5-9H2,1-4H3,(H2,27,32)(H,28,33)(H,29,34);7-9H,10-11H2,1-6H3,(H,27,34)(H,28,32)(H,29,33);2*8-11,19H,1-7H3,(H,25,30)(H,26,31);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30)/t20-;;2*19-;17-/m1.110/s1
• InChIKey: HRJHVNHJYMSSBR-RRFZVTIISA-N
• XLogP: 14.89
• TPSA: 527.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.52
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	13
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-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)?

The IUPAC name of 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide) (CID 158565102) is 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide).

What is the SMILES notation for 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)?

The canonical SMILES for 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide) is CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(C)(F)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(N)=O)C3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](CO)C(C)C)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)?

The InChIKey is HRJHVNHJYMSSBR-RRFZVTIISA-N. The full InChI is InChI=1S/C25H31FN4O4.C24H28F2N4O4.2C23H28FN3O4.C22H28FN3O4/c1-13-12-17(10-11-18(13)26)28-24(33)19-14(2)21(30(4)15(19)3)22(31)25(34)29-20(23(27)32)16-8-6-5-7-9-16;1-12-9-15(7-8-16(12)25)28-20(32)17-13(2)18(30(6)14(17)3)19(31)21(33)29-24(22(34)27-5)10-23(4,26)11-24;2*1-11(2)19(15(6)28)26-23(31)21(29)20-13(4)18(14(5)27(20)7)22(30)25-16-8-9-17(24)12(3)10-16;1-11(2)17(10-27)25-22(30)20(28)19-13(4)18(14(5)26(19)6)21(29)24-15-7-8-16(23)12(3)9-15/h10-12,16,20H,5-9H2,1-4H3,(H2,27,32)(H,28,33)(H,29,34);7-9H,10-11H2,1-6H3,(H,27,34)(H,28,32)(H,29,33);2*8-11,19H,1-7H3,(H,25,30)(H,26,31);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30)/t20-;;2*19-;17-/m1.110/s1.

What are the key properties of 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide)?

5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide) has a molecular weight of 2221.52 g/mol, XLogP of 14.89, 34 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(1R)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide) is sourced from PubChem (CID 158565102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).