5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate

C115H140F5N15O23 — CID 158591188

About 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate

5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate (PubChem CID 158591188) has the molecular formula C115H140F5N15O23 and a molecular weight of 2195.46 g/mol. Its IUPAC name is 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate.

Molecular Properties

• Compound Name: 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate
• PubChem CID: 158591188
• Molecular Formula: C115H140F5N15O23
• Molecular Weight: 2195.46 g/mol
• Exact Mass: 2194.02
• IUPAC Name: 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate
• SMILES: CC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(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)C.COC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)[C@@H](C)O.COC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C
• InChI: InChI=1S/2C24H30FN3O4.C23H28FN3O5.C22H26FN3O6.C22H26FN3O4/c2*1-12-11-16(9-10-17(12)25)26-22(31)18-13(2)19(28(8)14(18)3)20(30)23(32)27-21(15(4)29)24(5,6)7;1-11(2)18(23(31)32-7)26-22(30)20(28)19-13(4)17(14(5)27(19)6)21(29)25-15-8-9-16(24)12(3)10-15;1-10-9-14(7-8-15(10)23)24-20(29)16-11(2)18(26(5)12(16)3)19(28)21(30)25-17(13(4)27)22(31)32-6;1-11-10-15(8-9-16(11)23)24-20(29)17-12(2)18(26(7)13(17)3)19(28)21(30)25-22(5,6)14(4)27/h2*9-11,21H,1-8H3,(H,26,31)(H,27,32);8-11,18H,1-7H3,(H,25,29)(H,26,30);7-9,13,17,27H,1-6H3,(H,24,29)(H,25,30);8-10H,1-7H3,(H,24,29)(H,25,30)/t2*21-;18-;13-,17+;/m1011./s1
• InChIKey: HULQHXLFDSAKMN-GRIGZJQFSA-N
• XLogP: 14.70
• TPSA: 525.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.46
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	11
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 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate?

The IUPAC name of 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate (CID 158591188) is 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate.

What is the SMILES notation for 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate?

The canonical SMILES for 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate is CC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(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)C.COC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)[C@@H](C)O.COC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.

What is the InChIKey of 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate?

The InChIKey is HULQHXLFDSAKMN-GRIGZJQFSA-N. The full InChI is InChI=1S/2C24H30FN3O4.C23H28FN3O5.C22H26FN3O6.C22H26FN3O4/c2*1-12-11-16(9-10-17(12)25)26-22(31)18-13(2)19(28(8)14(18)3)20(30)23(32)27-21(15(4)29)24(5,6)7;1-11(2)18(23(31)32-7)26-22(30)20(28)19-13(4)17(14(5)27(19)6)21(29)25-15-8-9-16(24)12(3)10-15;1-10-9-14(7-8-15(10)23)24-20(29)16-11(2)18(26(5)12(16)3)19(28)21(30)25-17(13(4)27)22(31)32-6;1-11-10-15(8-9-16(11)23)24-20(29)17-12(2)18(26(7)13(17)3)19(28)21(30)25-22(5,6)14(4)27/h2*9-11,21H,1-8H3,(H,26,31)(H,27,32);8-11,18H,1-7H3,(H,25,29)(H,26,30);7-9,13,17,27H,1-6H3,(H,24,29)(H,25,30);8-10H,1-7H3,(H,24,29)(H,25,30)/t2*21-;18-;13-,17+;/m1011./s1.

What are the key properties of 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate?

5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate has a molecular weight of 2195.46 g/mol, XLogP of 14.70, 32 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]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-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;methyl (2S,3R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxybutanoate;methyl (2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 158591188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).