5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

C114H133F12N17O19 — CID 158024469

About 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-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;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 158024469) has the molecular formula C114H133F12N17O19 and a molecular weight of 2273.39 g/mol. Its IUPAC name is 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 158024469
• Molecular Formula: C114H133F12N17O19
• Molecular Weight: 2273.39 g/mol
• Exact Mass: 2271.98
• IUPAC Name: 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(C)(F)C1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1(C(F)(F)F)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(=O)O)C(C)C)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/C24H27F4N3O3.C24H28F2N4O4.C22H24F4N4O3.C22H26FN3O5.C22H28FN3O4/c1-13-12-16(8-9-17(13)25)29-21(33)18-14(2)19(31(4)15(18)3)20(32)22(34)30-23(24(26,27)28)10-6-5-7-11-23;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;1-12-16(19(32)28-14-7-8-15(23)27-11-14)13(2)30(3)17(12)18(31)20(33)29-21(22(24,25)26)9-5-4-6-10-21;1-10(2)17(22(30)31)25-21(29)19(27)18-12(4)16(13(5)26(18)6)20(28)24-14-7-8-15(23)11(3)9-14;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/h8-9,12H,5-7,10-11H2,1-4H3,(H,29,33)(H,30,34);7-9H,10-11H2,1-6H3,(H,27,34)(H,28,32)(H,29,33);7-8,11H,4-6,9-10H2,1-3H3,(H,28,32)(H,29,33);7-10,17H,1-6H3,(H,24,28)(H,25,29)(H,30,31);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30)/t;;;2*17-/m...10/s1
• InChIKey: FGLCJZTVFBSZPS-UWQCYELQSA-N
• XLogP: 16.95
• TPSA: 500.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.39
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (CID 158024469) is 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(C)(F)C1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1(C(F)(F)F)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(=O)O)C(C)C)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-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is FGLCJZTVFBSZPS-UWQCYELQSA-N. The full InChI is InChI=1S/C24H27F4N3O3.C24H28F2N4O4.C22H24F4N4O3.C22H26FN3O5.C22H28FN3O4/c1-13-12-16(8-9-17(13)25)29-21(33)18-14(2)19(31(4)15(18)3)20(32)22(34)30-23(24(26,27)28)10-6-5-7-11-23;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;1-12-16(19(32)28-14-7-8-15(23)27-11-14)13(2)30(3)17(12)18(31)20(33)29-21(22(24,25)26)9-5-4-6-10-21;1-10(2)17(22(30)31)25-21(29)19(27)18-12(4)16(13(5)26(18)6)20(28)24-14-7-8-15(23)11(3)9-14;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/h8-9,12H,5-7,10-11H2,1-4H3,(H,29,33)(H,30,34);7-9H,10-11H2,1-6H3,(H,27,34)(H,28,32)(H,29,33);7-8,11H,4-6,9-10H2,1-3H3,(H,28,32)(H,29,33);7-10,17H,1-6H3,(H,24,28)(H,25,29)(H,30,31);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30)/t;;;2*17-/m...10/s1.

What are the key properties of 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-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;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2273.39 g/mol, XLogP of 16.95, 30 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[3-fluoro-3-methyl-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-methylbutanoic acid;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158024469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).