5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide

C120H149F5N16O16 — CID 157155903

About 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide

5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide (PubChem CID 157155903) has the molecular formula C120H149F5N16O16 and a molecular weight of 2166.60 g/mol. Its IUPAC name is 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide
• PubChem CID: 157155903
• Molecular Formula: C120H149F5N16O16
• Molecular Weight: 2166.60 g/mol
• Exact Mass: 2165.13
• IUPAC Name: 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide
• SMILES: CCn1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)c1C(=O)C(=O)NC1(C)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)CN3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CC(C)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCC(=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H](C)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H33FN4O3.C25H32FN3O3.C24H30FN3O3.C23H26FN3O4.C23H28FN3O3/c1-15-13-19(9-10-20(15)26)28-24(32)21-17(3)22(29(5)18(21)4)23(31)25(33)27-16(2)14-30-11-7-6-8-12-30;1-6-29-17(4)20(23(31)27-18-10-11-19(26)15(2)14-18)16(3)21(29)22(30)24(32)28-25(5)12-8-7-9-13-25;1-13-7-6-8-17(11-13)27-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)26-18-9-10-19(25)14(2)12-18;1-12-10-16(8-9-18(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-15-6-5-7-17(28)11-15;1-12-10-23(5,11-12)26-22(30)20(28)19-14(3)18(15(4)27(19)6)21(29)25-16-7-8-17(24)13(2)9-16/h9-10,13,16H,6-8,11-12,14H2,1-5H3,(H,27,33)(H,28,32);10-11,14H,6-9,12-13H2,1-5H3,(H,27,31)(H,28,32);9-10,12-13,17H,6-8,11H2,1-5H3,(H,26,30)(H,27,31);8-10,15H,5-7,11H2,1-4H3,(H,25,30)(H,26,31);7-9,12H,10-11H2,1-6H3,(H,25,29)(H,26,30)/t;;13-,17-;;/m..1../s1
• InChIKey: ALUMODHBKJMVOP-DRUDYYKHSA-N
• XLogP: 19.56
• TPSA: 421.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.60
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide (CID 157155903) is 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide is CCn1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)c1C(=O)C(=O)NC1(C)CCCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)CN3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CC(C)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCC(=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H](C)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide?

The InChIKey is ALUMODHBKJMVOP-DRUDYYKHSA-N. The full InChI is InChI=1S/C25H33FN4O3.C25H32FN3O3.C24H30FN3O3.C23H26FN3O4.C23H28FN3O3/c1-15-13-19(9-10-20(15)26)28-24(32)21-17(3)22(29(5)18(21)4)23(31)25(33)27-16(2)14-30-11-7-6-8-12-30;1-6-29-17(4)20(23(31)27-18-10-11-19(26)15(2)14-18)16(3)21(29)22(30)24(32)28-25(5)12-8-7-9-13-25;1-13-7-6-8-17(11-13)27-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)26-18-9-10-19(25)14(2)12-18;1-12-10-16(8-9-18(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-15-6-5-7-17(28)11-15;1-12-10-23(5,11-12)26-22(30)20(28)19-14(3)18(15(4)27(19)6)21(29)25-16-7-8-17(24)13(2)9-16/h9-10,13,16H,6-8,11-12,14H2,1-5H3,(H,27,33)(H,28,32);10-11,14H,6-9,12-13H2,1-5H3,(H,27,31)(H,28,32);9-10,12-13,17H,6-8,11H2,1-5H3,(H,26,30)(H,27,31);8-10,15H,5-7,11H2,1-4H3,(H,25,30)(H,26,31);7-9,12H,10-11H2,1-6H3,(H,25,29)(H,26,30)/t;;13-,17-;;/m..1../s1.

What are the key properties of 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide?

5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide has a molecular weight of 2166.60 g/mol, XLogP of 19.56, 28 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-ethyl-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(1-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(3-oxocyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157155903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).