5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide

C116H139F11N16O17 — CID 159132149

About 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159132149) has the molecular formula C116H139F11N16O17 and a molecular weight of 2238.46 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159132149
• Molecular Formula: C116H139F11N16O17
• Molecular Weight: 2238.46 g/mol
• Exact Mass: 2237.03
• IUPAC Name: 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-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.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2CCF)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCF)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(CCF)c2C)ccc1F.Cc1ncc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)o1
• InChI: InChI=1S/C24H27F4N3O3.C23H29F2N3O4.2C23H29F2N3O3.C23H25FN4O4/c1-5-23(11-24(27,28)12-23)30-22(34)20(32)19-14(3)18(15(4)31(19)9-8-25)21(33)29-16-6-7-17(26)13(2)10-16;1-6-18(15(5)29)27-23(32)21(30)20-13(3)19(14(4)28(20)10-9-24)22(31)26-16-7-8-17(25)12(2)11-16;1-13-11-16(7-8-17(13)25)27-21(30)18-14(2)19(28(10-9-24)15(18)3)20(29)22(31)26-12-23(4,5)6;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)27-22(30)19-12(2)20(28(6)14(19)4)21(29)23(31)26-13(3)18-10-25-15(5)32-18/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,29,33)(H,30,34);7-8,11,15,18,29H,6,9-10H2,1-5H3,(H,26,31)(H,27,32);7-8,11H,9-10,12H2,1-6H3,(H,26,31)(H,27,30);8-9,12,16H,6-7,10-11H2,1-5H3,(H,26,31)(H,27,30);7-10,13H,1-6H3,(H,26,31)(H,27,30)/t;15-,18-;;;/m.1.../s1
• InChIKey: KHAMIEKLUUDJLJ-DHSHGHBSSA-N
• XLogP: 19.96
• TPSA: 447.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.46
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159132149) is 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-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.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2CCF)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCF)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(CCF)c2C)ccc1F.Cc1ncc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)o1.

What is the InChIKey of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is KHAMIEKLUUDJLJ-DHSHGHBSSA-N. The full InChI is InChI=1S/C24H27F4N3O3.C23H29F2N3O4.2C23H29F2N3O3.C23H25FN4O4/c1-5-23(11-24(27,28)12-23)30-22(34)20(32)19-14(3)18(15(4)31(19)9-8-25)21(33)29-16-6-7-17(26)13(2)10-16;1-6-18(15(5)29)27-23(32)21(30)20-13(3)19(14(4)28(20)10-9-24)22(31)26-16-7-8-17(25)12(2)11-16;1-13-11-16(7-8-17(13)25)27-21(30)18-14(2)19(28(10-9-24)15(18)3)20(29)22(31)26-12-23(4,5)6;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)27-22(30)19-12(2)20(28(6)14(19)4)21(29)23(31)26-13(3)18-10-25-15(5)32-18/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,29,33)(H,30,34);7-8,11,15,18,29H,6,9-10H2,1-5H3,(H,26,31)(H,27,32);7-8,11H,9-10,12H2,1-6H3,(H,26,31)(H,27,30);8-9,12,16H,6-7,10-11H2,1-5H3,(H,26,31)(H,27,30);7-10,13H,1-6H3,(H,26,31)(H,27,30)/t;15-,18-;;;/m.1.../s1.

What are the key properties of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2238.46 g/mol, XLogP of 19.96, 39 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159132149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).