N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide

C112H140F5N17O17 — CID 159490139

About N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide (PubChem CID 159490139) has the molecular formula C112H140F5N17O17 and a molecular weight of 2091.44 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide
• PubChem CID: 159490139
• Molecular Formula: C112H140F5N17O17
• Molecular Weight: 2091.44 g/mol
• Exact Mass: 2090.05
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide
• SMILES: CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC[C@@H](C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC[C@H](C)NC(=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)N[C@H](CO)C(C)C)n(C)c2C)ccc1F.Cc1noc([C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1
• InChI: InChI=1S/C24H28FN5O4.C22H28FN3O4.3C22H28FN3O3/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)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;2*1-7-8-13(3)24-22(29)20(27)19-14(4)18(15(5)26(19)6)21(28)25-16-9-10-17(23)12(2)11-16;1-7-15(8-2)24-22(29)20(27)19-13(4)18(14(5)26(19)6)21(28)25-16-9-10-17(23)12(3)11-16/h8-11,19H,1-7H3,(H,27,32)(H,28,33);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30);2*9-11,13H,7-8H2,1-6H3,(H,24,29)(H,25,28);9-11,15H,7-8H2,1-6H3,(H,24,29)(H,25,28)/t19-;17-;2*13-;/m1110./s1
• InChIKey: LYBVZWIOJYUSMI-MWGLAJFPSA-N
• XLogP: 17.87
• TPSA: 460.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.44
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	11
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 N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide (CID 159490139) is N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide is CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC[C@@H](C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC[C@H](C)NC(=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)N[C@H](CO)C(C)C)n(C)c2C)ccc1F.Cc1noc([C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide?

The InChIKey is LYBVZWIOJYUSMI-MWGLAJFPSA-N. The full InChI is InChI=1S/C24H28FN5O4.C22H28FN3O4.3C22H28FN3O3/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)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;2*1-7-8-13(3)24-22(29)20(27)19-14(4)18(15(5)26(19)6)21(28)25-16-9-10-17(23)12(2)11-16;1-7-15(8-2)24-22(29)20(27)19-13(4)18(14(5)26(19)6)21(28)25-16-9-10-17(23)12(3)11-16/h8-11,19H,1-7H3,(H,27,32)(H,28,33);7-9,11,17,27H,10H2,1-6H3,(H,24,29)(H,25,30);2*9-11,13H,7-8H2,1-6H3,(H,24,29)(H,25,28);9-11,15H,7-8H2,1-6H3,(H,24,29)(H,25,28)/t19-;17-;2*13-;/m1110./s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide has a molecular weight of 2091.44 g/mol, XLogP of 17.87, 35 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-5-[2-[[(2S)-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-[[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2R)-pentan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159490139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).