N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C117H141ClF9N17O15 — CID 160741731

About N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 160741731) has the molecular formula C117H141ClF9N17O15 and a molecular weight of 2231.95 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 160741731
• Molecular Formula: C117H141ClF9N17O15
• Molecular Weight: 2231.95 g/mol
• Exact Mass: 2230.03
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n(C)c1C(=O)C(=O)NC1CCC(C)CC1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1(C)CCC(C)CC1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1CCC(C)(C(F)(F)F)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(F)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C24H29F2N3O3.C24H30FN3O3.C23H27ClFN3O3.C23H26F4N4O3.C23H29FN4O3/c1-13-12-17(6-7-18(13)25)28-22(31)19-14(2)20(29(5)15(19)3)21(30)23(32)27-16-8-10-24(4,26)11-9-16;1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-12-5-7-15(8-6-12)26-23(31)21(29)20-13(2)19(14(3)28(20)4)22(30)27-16-9-10-18(25)17(24)11-16;1-12-17(20(33)30-15-5-6-16(24)28-11-15)13(2)31(4)18(12)19(32)21(34)29-14-7-9-22(3,10-8-14)23(25,26)27;1-13-8-10-23(4,11-9-13)27-22(31)20(29)19-14(2)18(15(3)28(19)5)21(30)26-16-6-7-17(24)25-12-16/h6-7,12,16H,8-11H2,1-5H3,(H,27,32)(H,28,31);10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);9-12,15H,5-8H2,1-4H3,(H,26,31)(H,27,30);5-6,11,14H,7-10H2,1-4H3,(H,29,34)(H,30,33);6-7,12-13H,8-11H2,1-5H3,(H,26,30)(H,27,31)
• InChIKey: RVRGRDJDJZGTTQ-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 426.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.95
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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 N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 160741731) is N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n(C)c1C(=O)C(=O)NC1CCC(C)CC1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1(C)CCC(C)CC1.Cc1c(C(=O)Nc2ccc(F)nc2)c(C)n(C)c1C(=O)C(=O)NC1CCC(C)(C(F)(F)F)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(F)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is RVRGRDJDJZGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O3.C24H30FN3O3.C23H27ClFN3O3.C23H26F4N4O3.C23H29FN4O3/c1-13-12-17(6-7-18(13)25)28-22(31)19-14(2)20(29(5)15(19)3)21(30)23(32)27-16-8-10-24(4,26)11-9-16;1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-12-5-7-15(8-6-12)26-23(31)21(29)20-13(2)19(14(3)28(20)4)22(30)27-16-9-10-18(25)17(24)11-16;1-12-17(20(33)30-15-5-6-16(24)28-11-15)13(2)31(4)18(12)19(32)21(34)29-14-7-9-22(3,10-8-14)23(25,26)27;1-13-8-10-23(4,11-9-13)27-22(31)20(29)19-14(2)18(15(3)28(19)5)21(30)26-16-6-7-17(24)25-12-16/h6-7,12,16H,8-11H2,1-5H3,(H,27,32)(H,28,31);10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);9-12,15H,5-8H2,1-4H3,(H,26,31)(H,27,30);5-6,11,14H,7-10H2,1-4H3,(H,29,34)(H,30,33);6-7,12-13H,8-11H2,1-5H3,(H,26,30)(H,27,31).

What are the key properties of N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2231.95 g/mol, XLogP of 21.03, 25 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-fluoro-4-methylcyclohexyl)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-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 160741731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).