5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide

C117H138F5N25O16S — CID 161311601

About 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide

5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide (PubChem CID 161311601) has the molecular formula C117H138F5N25O16S and a molecular weight of 2277.61 g/mol. Its IUPAC name is 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 161311601
• Molecular Formula: C117H138F5N25O16S
• Molecular Weight: 2277.61 g/mol
• Exact Mass: 2276.04
• IUPAC Name: 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide
• SMILES: CC[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)NC(C)C3=NCN=N3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(CC(C)C)c3nn[nH]n3)n(C)c2C)ccc1F.Cc1nc2c(s1)C[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n1C)CC2.Cc1noc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1
• InChI: InChI=1S/C25H27FN4O3S.C24H28FN5O4.C24H32FN3O3.C23H28FN7O3.C21H23FN6O3/c1-12-10-16(6-8-18(12)26)28-24(32)21-13(2)22(30(5)14(21)3)23(31)25(33)29-17-7-9-19-20(11-17)34-15(4)27-19;1-11(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;1-9-18(24(5,6)7)27-23(31)21(29)20-14(3)19(15(4)28(20)8)22(30)26-16-10-11-17(25)13(2)12-16;1-11(2)9-17(21-27-29-30-28-21)26-23(34)20(32)19-13(4)18(14(5)31(19)6)22(33)25-15-7-8-16(24)12(3)10-15;1-10-8-14(6-7-15(10)22)26-20(30)16-11(2)17(28(5)13(16)4)18(29)21(31)25-12(3)19-23-9-24-27-19/h6,8,10,17H,7,9,11H2,1-5H3,(H,28,32)(H,29,33);8-11,19H,1-7H3,(H,27,32)(H,28,33);10-12,18H,9H2,1-8H3,(H,26,30)(H,27,31);7-8,10-11,17H,9H2,1-6H3,(H,25,33)(H,26,34)(H,27,28,29,30);6-8,12H,9H2,1-5H3,(H,25,31)(H,26,30)/t17-;;18-;;/m1.0../s1
• InChIKey: VIYPQTGHTCFXGE-YIHDQSBISA-N
• XLogP: 17.95
• TPSA: 544.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.61
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide (CID 161311601) is 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide is CC[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)NC(C)C3=NCN=N3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(CC(C)C)c3nn[nH]n3)n(C)c2C)ccc1F.Cc1nc2c(s1)C[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n1C)CC2.Cc1noc(C(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 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

The InChIKey is VIYPQTGHTCFXGE-YIHDQSBISA-N. The full InChI is InChI=1S/C25H27FN4O3S.C24H28FN5O4.C24H32FN3O3.C23H28FN7O3.C21H23FN6O3/c1-12-10-16(6-8-18(12)26)28-24(32)21-13(2)22(30(5)14(21)3)23(31)25(33)29-17-7-9-19-20(11-17)34-15(4)27-19;1-11(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;1-9-18(24(5,6)7)27-23(31)21(29)20-14(3)19(15(4)28(20)8)22(30)26-16-10-11-17(25)13(2)12-16;1-11(2)9-17(21-27-29-30-28-21)26-23(34)20(32)19-13(4)18(14(5)31(19)6)22(33)25-15-7-8-16(24)12(3)10-15;1-10-8-14(6-7-15(10)22)26-20(30)16-11(2)17(28(5)13(16)4)18(29)21(31)25-12(3)19-23-9-24-27-19/h6,8,10,17H,7,9,11H2,1-5H3,(H,28,32)(H,29,33);8-11,19H,1-7H3,(H,27,32)(H,28,33);10-12,18H,9H2,1-8H3,(H,26,30)(H,27,31);7-8,10-11,17H,9H2,1-6H3,(H,25,33)(H,26,34)(H,27,28,29,30);6-8,12H,9H2,1-5H3,(H,25,31)(H,26,30)/t17-;;18-;;/m1.0../s1.

What are the key properties of 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide?

5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2277.61 g/mol, XLogP of 17.95, 32 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(3S)-2,2-dimethylpentan-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-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-[[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[1-(3H-1,2,4-triazol-5-yl)ethylamino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 161311601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).