5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C77H97F3N10O10 — CID 157143956

About 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 157143956) has the molecular formula C77H97F3N10O10 and a molecular weight of 1379.68 g/mol. Its IUPAC name is 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 157143956
• Molecular Formula: C77H97F3N10O10
• Molecular Weight: 1379.68 g/mol
• Exact Mass: 1378.73
• IUPAC Name: 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)N3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC4(CC(C)C4)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C27H35FN4O4.C25H30FN3O3.C25H32FN3O3/c1-15-10-12-32(13-11-15)26(36)27(5,6)30-25(35)23(33)22-17(3)21(18(4)31(22)7)24(34)29-19-8-9-20(28)16(2)14-19;1-13-9-25(10-13)11-18(12-25)28-24(32)22(30)21-15(3)20(16(4)29(21)5)23(31)27-17-6-7-19(26)14(2)8-17;1-6-25(12-8-7-9-13-25)28-24(32)22(30)21-16(3)20(17(4)29(21)5)23(31)27-18-10-11-19(26)15(2)14-18/h8-9,14-15H,10-13H2,1-7H3,(H,29,34)(H,30,35);6-8,13,18H,9-12H2,1-5H3,(H,27,31)(H,28,32);10-11,14H,6-9,12-13H2,1-5H3,(H,27,31)(H,28,32)
• InChIKey: AKMQAKGNWAJTPR-UHFFFAOYSA-N
• XLogP: 12.65
• TPSA: 260.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1379.68
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 157143956) is 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)N3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC4(CC(C)C4)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is AKMQAKGNWAJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O4.C25H30FN3O3.C25H32FN3O3/c1-15-10-12-32(13-11-15)26(36)27(5,6)30-25(35)23(33)22-17(3)21(18(4)31(22)7)24(34)29-19-8-9-20(28)16(2)14-19;1-13-9-25(10-13)11-18(12-25)28-24(32)22(30)21-15(3)20(16(4)29(21)5)23(31)27-17-6-7-19(26)14(2)8-17;1-6-25(12-8-7-9-13-25)28-24(32)22(30)21-16(3)20(17(4)29(21)5)23(31)27-18-10-11-19(26)15(2)14-18/h8-9,14-15H,10-13H2,1-7H3,(H,29,34)(H,30,35);6-8,13,18H,9-12H2,1-5H3,(H,27,31)(H,28,32);10-11,14H,6-9,12-13H2,1-5H3,(H,27,31)(H,28,32).

What are the key properties of 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 1379.68 g/mol, XLogP of 12.65, 17 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(1-ethylcyclohexyl)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-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(6-methylspiro[3.3]heptan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157143956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).