5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C75H89F6N9O9 — CID 160589086

About 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 160589086) has the molecular formula C75H89F6N9O9 and a molecular weight of 1374.58 g/mol. Its IUPAC name is 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 160589086
• Molecular Formula: C75H89F6N9O9
• Molecular Weight: 1374.58 g/mol
• Exact Mass: 1373.67
• IUPAC Name: 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: C#CC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3(C)C)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H29F4N3O3.C25H32FN3O3.C25H28FN3O3/c1-13-8-10-24(11-9-13,25(27,28)29)31-23(35)21(33)20-15(3)19(16(4)32(20)5)22(34)30-17-6-7-18(26)14(2)12-17;1-14-13-17(10-11-18(14)26)27-23(31)20-15(2)21(29(6)16(20)3)22(30)24(32)28-19-9-7-8-12-25(19,4)5;1-6-17-7-9-18(10-8-17)27-25(32)23(30)22-15(3)21(16(4)29(22)5)24(31)28-19-11-12-20(26)14(2)13-19/h6-7,12-13H,8-11H2,1-5H3,(H,30,34)(H,31,35);10-11,13,19H,7-9,12H2,1-6H3,(H,27,31)(H,28,32);1,11-13,17-18H,7-10H2,2-5H3,(H,27,32)(H,28,31)
• InChIKey: RCTRMHDHURPZHN-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 240.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.58
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 160589086) is 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is C#CC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3(C)C)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is RCTRMHDHURPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N3O3.C25H32FN3O3.C25H28FN3O3/c1-13-8-10-24(11-9-13,25(27,28)29)31-23(35)21(33)20-15(3)19(16(4)32(20)5)22(34)30-17-6-7-18(26)14(2)12-17;1-14-13-17(10-11-18(14)26)27-23(31)20-15(2)21(29(6)16(20)3)22(30)24(32)28-19-9-7-8-12-25(19,4)5;1-6-17-7-9-18(10-8-17)27-25(32)23(30)22-15(3)21(16(4)29(22)5)24(31)28-19-11-12-20(26)14(2)13-19/h6-7,12-13H,8-11H2,1-5H3,(H,30,34)(H,31,35);10-11,13,19H,7-9,12H2,1-6H3,(H,27,31)(H,28,32);1,11-13,17-18H,7-10H2,2-5H3,(H,27,32)(H,28,31).

What are the key properties of 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 1374.58 g/mol, XLogP of 13.59, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethynylcyclohexyl)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-methyl-1-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 160589086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).