5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C139H172F6N20O19 — CID 158243155

About 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 158243155) has the molecular formula C139H172F6N20O19 and a molecular weight of 2541.01 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 158243155
• Molecular Formula: C139H172F6N20O19
• Molecular Weight: 2541.01 g/mol
• Exact Mass: 2539.30
• IUPAC Name: 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: COC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1c(C(=O)Nc2ccnc(F)c2)c(C)n(C)c1C(=O)C(=O)NC1(C)CCCCC1.Cc1c(C(=O)Nc2ccnc(F)c2)c(C)n(C)c1C(=O)C(=O)NC1CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCCCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H32FN3O3.C24H30FN3O4.C24H30FN3O3.C23H28FN3O3.C22H27FN4O3.C21H25FN4O3/c1-14-9-11-25(5,12-10-14)28-24(32)22(30)21-16(3)20(17(4)29(21)6)23(31)27-18-7-8-19(26)15(2)13-18;1-13-12-17(8-11-19(13)25)27-23(30)20-14(2)21(28(4)15(20)3)22(29)24(31)26-16-6-9-18(32-5)10-7-16;1-14-13-17(9-10-18(14)25)26-22(30)19-15(2)20(28(5)16(19)3)21(29)23(31)27-24(4)11-7-6-8-12-24;1-13-12-16(8-9-17(13)24)25-21(29)18-14(2)19(27(5)15(18)3)20(28)22(30)26-23(4)10-6-7-11-23;1-13-17(20(29)25-15-8-11-24-16(23)12-15)14(2)27(4)18(13)19(28)21(30)26-22(3)9-6-5-7-10-22;1-12-17(20(28)25-15-9-10-23-16(22)11-15)13(2)26(3)18(12)19(27)21(29)24-14-7-5-4-6-8-14/h7-8,13-14H,9-12H2,1-6H3,(H,27,31)(H,28,32);8,11-12,16,18H,6-7,9-10H2,1-5H3,(H,26,31)(H,27,30);9-10,13H,6-8,11-12H2,1-5H3,(H,26,30)(H,27,31);8-9,12H,6-7,10-11H2,1-5H3,(H,25,29)(H,26,30);8,11-12H,5-7,9-10H2,1-4H3,(H,26,30)(H,24,25,29);9-11,14H,4-8H2,1-3H3,(H,24,29)(H,23,25,28)
• InChIKey: GFUKQARZDOYSHA-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 516.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.01
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

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-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 158243155) is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is COC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1c(C(=O)Nc2ccnc(F)c2)c(C)n(C)c1C(=O)C(=O)NC1(C)CCCCC1.Cc1c(C(=O)Nc2ccnc(F)c2)c(C)n(C)c1C(=O)C(=O)NC1CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCCCC3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is GFUKQARZDOYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3.C24H30FN3O4.C24H30FN3O3.C23H28FN3O3.C22H27FN4O3.C21H25FN4O3/c1-14-9-11-25(5,12-10-14)28-24(32)22(30)21-16(3)20(17(4)29(21)6)23(31)27-18-7-8-19(26)15(2)13-18;1-13-12-17(8-11-19(13)25)27-23(30)20-14(2)21(28(4)15(20)3)22(29)24(31)26-16-6-9-18(32-5)10-7-16;1-14-13-17(9-10-18(14)25)26-22(30)19-15(2)20(28(5)16(19)3)21(29)23(31)27-24(4)11-7-6-8-12-24;1-13-12-16(8-9-17(13)24)25-21(29)18-14(2)19(27(5)15(18)3)20(28)22(30)26-23(4)10-6-7-11-23;1-13-17(20(29)25-15-8-11-24-16(23)12-15)14(2)27(4)18(13)19(28)21(30)26-22(3)9-6-5-7-10-22;1-12-17(20(28)25-15-9-10-23-16(22)11-15)13(2)26(3)18(12)19(27)21(29)24-14-7-5-4-6-8-14/h7-8,13-14H,9-12H2,1-6H3,(H,27,31)(H,28,32);8,11-12,16,18H,6-7,9-10H2,1-5H3,(H,26,31)(H,27,30);9-10,13H,6-8,11-12H2,1-5H3,(H,26,30)(H,27,31);8-9,12H,6-7,10-11H2,1-5H3,(H,25,29)(H,26,30);8,11-12H,5-7,9-10H2,1-4H3,(H,26,30)(H,24,25,29);9-11,14H,4-8H2,1-3H3,(H,24,29)(H,23,25,28).

What are the key properties of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2541.01 g/mol, XLogP of 23.05, 31 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(2-fluoro-4-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-methoxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclopentyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(2-fluoro-4-pyridinyl)-1,2,4-trimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).