5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

C120H154F5N17O20 — CID 158500933

About 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 158500933) has the molecular formula C120H154F5N17O20 and a molecular weight of 2249.64 g/mol. Its IUPAC name is 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
• PubChem CID: 158500933
• Molecular Formula: C120H154F5N17O20
• Molecular Weight: 2249.64 g/mol
• Exact Mass: 2248.15
• IUPAC Name: 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
• SMILES: CCCNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(=O)NCC(C)(C)O)C(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C)C(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCC[C@H]3O)n(C)c2C)ccc1F
• InChI: InChI=1S/C27H37FN4O5.C26H35FN4O4.C23H30FN3O3.2C22H26FN3O4/c1-14-12-17(10-11-18(14)28)30-23(34)19-15(2)20(32(9)16(19)3)21(33)24(35)31-22(26(4,5)6)25(36)29-13-27(7,8)37;1-9-12-28-25(35)22(26(5,6)7)30-24(34)21(32)20-15(3)19(16(4)31(20)8)23(33)29-17-10-11-18(27)14(2)13-17;1-12-11-16(9-10-17(12)24)26-21(29)18-13(2)19(27(8)14(18)3)20(28)22(30)25-15(4)23(5,6)7;2*1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h10-12,22,37H,13H2,1-9H3,(H,29,36)(H,30,34)(H,31,35);10-11,13,22H,9,12H2,1-8H3,(H,28,35)(H,29,33)(H,30,34);9-11,15H,1-8H3,(H,25,30)(H,26,29);2*8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t2*22-;15-;16-,17+;16-,17-/m00001/s1
• InChIKey: HJWOMFCXQGLSJB-NJCXLDNQSA-N
• XLogP: 15.71
• TPSA: 519.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.64
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	15
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-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (CID 158500933) is 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is CCCNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C(=O)NCC(C)(C)O)C(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C)C(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCC[C@H]3O)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The InChIKey is HJWOMFCXQGLSJB-NJCXLDNQSA-N. The full InChI is InChI=1S/C27H37FN4O5.C26H35FN4O4.C23H30FN3O3.2C22H26FN3O4/c1-14-12-17(10-11-18(14)28)30-23(34)19-15(2)20(32(9)16(19)3)21(33)24(35)31-22(26(4,5)6)25(36)29-13-27(7,8)37;1-9-12-28-25(35)22(26(5,6)7)30-24(34)21(32)20-15(3)19(16(4)31(20)8)23(33)29-17-10-11-18(27)14(2)13-17;1-12-11-16(9-10-17(12)24)26-21(29)18-13(2)19(27(8)14(18)3)20(28)22(30)25-15(4)23(5,6)7;2*1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h10-12,22,37H,13H2,1-9H3,(H,29,36)(H,30,34)(H,31,35);10-11,13,22H,9,12H2,1-8H3,(H,28,35)(H,29,33)(H,30,34);9-11,15H,1-8H3,(H,25,30)(H,26,29);2*8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t2*22-;15-;16-,17+;16-,17-/m00001/s1.

What are the key properties of 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 2249.64 g/mol, XLogP of 15.71, 31 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R)-1-[(2-hydroxy-2-methylpropyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 158500933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).