1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C119H140F8N16O18 — CID 161141410

About 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 161141410) has the molecular formula C119H140F8N16O18 and a molecular weight of 2234.51 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 161141410
• Molecular Formula: C119H140F8N16O18
• Molecular Weight: 2234.51 g/mol
• Exact Mass: 2233.04
• IUPAC Name: 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H]3C)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCOC[C@H]3C)n(CCF)c2C)ccc1F.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.Cc1ncc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)o1
• InChI: InChI=1S/C24H29F2N3O4.2C24H29F2N3O3.C24H25FN4O4.C23H28FN3O4/c1-13-11-17(5-6-18(13)26)27-23(31)20-15(3)21(29(9-8-25)16(20)4)22(30)24(32)28-19-7-10-33-12-14(19)2;1-13-5-6-17(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;1-13-6-5-7-19(13)28-24(32)22(30)21-15(3)20(16(4)29(21)11-10-25)23(31)27-17-8-9-18(26)14(2)12-17;1-12-10-16(6-7-17(12)25)27-22(31)19-13(2)20(29(5)14(19)3)21(30)23(32)28-24(8-9-24)18-11-26-15(4)33-18;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/h5-6,11,14,19H,7-10,12H2,1-4H3,(H,27,31)(H,28,32);7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32);8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,27,31)(H,28,32);6-7,10-11H,8-9H2,1-5H3,(H,27,31)(H,28,32);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31)/t14-,19-;13-,17-;13-,19-;;17-,18-/m101.0/s1
• InChIKey: UNMMXTSJPJEKGR-XBFAIHKXSA-N
• XLogP: 18.59
• TPSA: 456.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.51
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

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-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 161141410) is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@H]3C)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCOC[C@H]3C)n(CCF)c2C)ccc1F.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.Cc1ncc(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-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is UNMMXTSJPJEKGR-XBFAIHKXSA-N. The full InChI is InChI=1S/C24H29F2N3O4.2C24H29F2N3O3.C24H25FN4O4.C23H28FN3O4/c1-13-11-17(5-6-18(13)26)27-23(31)20-15(3)21(29(9-8-25)16(20)4)22(30)24(32)28-19-7-10-33-12-14(19)2;1-13-5-6-17(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;1-13-6-5-7-19(13)28-24(32)22(30)21-15(3)20(16(4)29(21)11-10-25)23(31)27-17-8-9-18(26)14(2)12-17;1-12-10-16(6-7-17(12)25)27-22(31)19-13(2)20(29(5)14(19)3)21(30)23(32)28-24(8-9-24)18-11-26-15(4)33-18;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/h5-6,11,14,19H,7-10,12H2,1-4H3,(H,27,31)(H,28,32);7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32);8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,27,31)(H,28,32);6-7,10-11H,8-9H2,1-5H3,(H,27,31)(H,28,32);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31)/t14-,19-;13-,17-;13-,19-;;17-,18-/m101.0/s1.

What are the key properties of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2234.51 g/mol, XLogP of 18.59, 32 rotatable bonds, 11 hydrogen bond donors, and 24 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-[[(1R,2R)-2-methylcyclopentyl]amino]-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-[[(3S,4R)-3-methyloxan-4-yl]amino]-2-oxoacetyl]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-(2-methyl-1,3-oxazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 161141410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).