bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C120H150F7N17O17 — CID 157488410

About bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 157488410) has the molecular formula C120H150F7N17O17 and a molecular weight of 2235.61 g/mol. Its IUPAC name is bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 157488410
• Molecular Formula: C120H150F7N17O17
• Molecular Weight: 2235.61 g/mol
• Exact Mass: 2234.13
• IUPAC Name: bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(CCF)c2C)ccc1F
• InChI: InChI=1S/2C25H31F2N3O3.C24H30FN3O4.C23H29FN4O4.C23H29FN4O3/c2*1-14-5-7-18(8-6-14)28-25(33)23(31)22-16(3)21(17(4)30(22)12-11-26)24(32)29-19-9-10-20(27)15(2)13-19;1-13-12-17(6-7-18(13)25)27-22(30)19-14(2)20(28(5)15(19)3)21(29)23(31)26-16-8-10-24(4,32)11-9-16;1-12-10-16(11-25-20(12)24)27-21(30)17-13(2)18(28(5)14(17)3)19(29)22(31)26-15-6-8-23(4,32)9-7-15;1-12-6-8-16(9-7-12)26-23(31)20(29)19-14(3)18(15(4)28(19)5)22(30)27-17-10-13(2)21(24)25-11-17/h2*9-10,13-14,18H,5-8,11-12H2,1-4H3,(H,28,33)(H,29,32);6-7,12,16,32H,8-11H2,1-5H3,(H,26,31)(H,27,30);10-11,15,32H,6-9H2,1-5H3,(H,26,31)(H,27,30);10-12,16H,6-9H2,1-5H3,(H,26,31)(H,27,30)
• InChIKey: BWZGDYWBPPOSIE-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 467.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.61
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

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 bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 157488410) is bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(CCF)c2C)ccc1F.

What is the InChIKey of bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is BWZGDYWBPPOSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31F2N3O3.C24H30FN3O4.C23H29FN4O4.C23H29FN4O3/c2*1-14-5-7-18(8-6-14)28-25(33)23(31)22-16(3)21(17(4)30(22)12-11-26)24(32)29-19-9-10-20(27)15(2)13-19;1-13-12-17(6-7-18(13)25)27-22(30)19-14(2)20(28(5)15(19)3)21(29)23(31)26-16-8-10-24(4,32)11-9-16;1-12-10-16(11-25-20(12)24)27-21(30)17-13(2)18(28(5)14(17)3)19(29)22(31)26-15-6-8-23(4,32)9-7-15;1-12-6-8-16(9-7-12)26-23(31)20(29)19-14(3)18(15(4)28(19)5)22(30)27-17-10-13(2)21(24)25-11-17/h2*9-10,13-14,18H,5-8,11-12H2,1-4H3,(H,28,33)(H,29,32);6-7,12,16,32H,8-11H2,1-5H3,(H,26,31)(H,27,30);10-11,15,32H,6-9H2,1-5H3,(H,26,31)(H,27,30);10-12,16H,6-9H2,1-5H3,(H,26,31)(H,27,30).

What are the key properties of bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2235.61 g/mol, XLogP of 18.98, 29 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157488410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).