1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide

C117H136F7N17O18 — CID 158260472

About 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 158260472) has the molecular formula C117H136F7N17O18 and a molecular weight of 2201.46 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 158260472
• Molecular Formula: C117H136F7N17O18
• Molecular Weight: 2201.46 g/mol
• Exact Mass: 2200.01
• IUPAC Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCF.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)C3)n(CCF)c2C)ccc1F.Cc1cnc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)o1.Cc1cnc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)o1
• InChI: InChI=1S/C24H29F2N3O3.C24H25FN4O4.C23H29F2N3O3.C23H25FN4O4.C23H28FN3O4/c1-13-5-6-17(11-13)28-24(32)22(30)21-15(3)20(16(4)29(21)10-9-25)23(31)27-18-7-8-19(26)14(2)12-18;1-12-10-16(6-7-17(12)25)27-21(31)18-14(3)19(29(5)15(18)4)20(30)22(32)28-24(8-9-24)23-26-11-13(2)33-23;1-6-16(7-2)26-23(31)21(29)20-14(4)19(15(5)28(20)11-10-24)22(30)27-17-8-9-18(25)13(3)12-17;1-11-9-16(7-8-17(11)24)27-21(30)18-13(3)19(28(6)15(18)5)20(29)22(31)26-14(4)23-25-10-12(2)32-23;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28/h7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32);6-7,10-11H,8-9H2,1-5H3,(H,27,31)(H,28,32);8-9,12,16H,6-7,10-11H2,1-5H3,(H,26,31)(H,27,30);7-10,14H,1-6H3,(H,26,31)(H,27,30);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31)/t13-,17-;;;;17-,18-/m0...0/s1
• InChIKey: GHUUHQTYLAEJSE-KPPBDQSHSA-N
• XLogP: 18.79
• TPSA: 473.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2201.46
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 158260472) is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide is CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCF.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)C3)n(CCF)c2C)ccc1F.Cc1cnc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)o1.Cc1cnc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)o1.

What is the InChIKey of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is GHUUHQTYLAEJSE-KPPBDQSHSA-N. The full InChI is InChI=1S/C24H29F2N3O3.C24H25FN4O4.C23H29F2N3O3.C23H25FN4O4.C23H28FN3O4/c1-13-5-6-17(11-13)28-24(32)22(30)21-15(3)20(16(4)29(21)10-9-25)23(31)27-18-7-8-19(26)14(2)12-18;1-12-10-16(6-7-17(12)25)27-21(31)18-14(3)19(29(5)15(18)4)20(30)22(32)28-24(8-9-24)23-26-11-13(2)33-23;1-6-16(7-2)26-23(31)21(29)20-14(4)19(15(5)28(20)11-10-24)22(30)27-17-8-9-18(25)13(3)12-17;1-11-9-16(7-8-17(11)24)27-21(30)18-13(3)19(28(6)15(18)5)20(29)22(31)26-14(4)23-25-10-12(2)32-23;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28/h7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32);6-7,10-11H,8-9H2,1-5H3,(H,27,31)(H,28,32);8-9,12,16H,6-7,10-11H2,1-5H3,(H,26,31)(H,27,30);7-10,14H,1-6H3,(H,26,31)(H,27,30);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31)/t13-,17-;;;;17-,18-/m0...0/s1.

What are the key properties of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2201.46 g/mol, XLogP of 18.79, 33 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158260472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).