5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C138H171F10N21O20 — CID 159784611

About 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159784611) has the molecular formula C138H171F10N21O20 and a molecular weight of 2633.99 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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159784611
• Molecular Formula: C138H171F10N21O20
• Molecular Weight: 2633.99 g/mol
• Exact Mass: 2632.28
• IUPAC Name: 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: 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)NC3(CO)CC(C)(F)C3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@@H](C)C3)n(C)c2C)cnc1F
• InChI: InChI=1S/C24H28F3N3O4.C23H29F2N3O4.C23H29F2N3O3.2C23H29FN4O3.C22H27FN4O3/c1-13-9-16(5-6-17(13)26)28-21(33)18-14(2)19(30(8-7-25)15(18)3)20(32)22(34)29-24(12-31)10-23(4,27)11-24;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;2*1-12-6-8-16(9-7-12)26-23(31)20(29)19-14(3)18(15(4)28(19)5)22(30)27-17-10-13(2)21(24)25-11-17;1-11-6-7-15(8-11)25-22(30)19(28)18-13(3)17(14(4)27(18)5)21(29)26-16-9-12(2)20(23)24-10-16/h5-6,9,31H,7-8,10-12H2,1-4H3,(H,28,33)(H,29,34);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);2*10-12,16H,6-9H2,1-5H3,(H,26,31)(H,27,30);9-11,15H,6-8H2,1-5H3,(H,25,30)(H,26,29)/t;15-,18-;;;;11-,15-/m.1...1/s1
• InChIKey: NHUHVUGIMCXWFZ-FZRPBYKXSA-N
• XLogP: 21.13
• TPSA: 560.33 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.99
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159784611) is 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is 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)NC3(CO)CC(C)(F)C3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)cnc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@@H](C)C3)n(C)c2C)cnc1F.

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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is NHUHVUGIMCXWFZ-FZRPBYKXSA-N. The full InChI is InChI=1S/C24H28F3N3O4.C23H29F2N3O4.C23H29F2N3O3.2C23H29FN4O3.C22H27FN4O3/c1-13-9-16(5-6-17(13)26)28-21(33)18-14(2)19(30(8-7-25)15(18)3)20(32)22(34)29-24(12-31)10-23(4,27)11-24;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;2*1-12-6-8-16(9-7-12)26-23(31)20(29)19-14(3)18(15(4)28(19)5)22(30)27-17-10-13(2)21(24)25-11-17;1-11-6-7-15(8-11)25-22(30)19(28)18-13(3)17(14(4)27(18)5)21(29)26-16-9-12(2)20(23)24-10-16/h5-6,9,31H,7-8,10-12H2,1-4H3,(H,28,33)(H,29,34);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);2*10-12,16H,6-9H2,1-5H3,(H,26,31)(H,27,30);9-11,15H,6-8H2,1-5H3,(H,25,30)(H,26,29)/t;15-,18-;;;;11-,15-/m.1...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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2633.99 g/mol, XLogP of 21.13, 39 rotatable bonds, 14 hydrogen bond donors, and 29 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;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159784611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).