5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C119H142F7N17O18 — CID 162145578

About 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 162145578) has the molecular formula C119H142F7N17O18 and a molecular weight of 2231.53 g/mol. Its IUPAC name is 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 162145578
• Molecular Formula: C119H142F7N17O18
• Molecular Weight: 2231.53 g/mol
• Exact Mass: 2230.06
• IUPAC Name: 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: CCC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CCC1.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(F)(F)C1.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CC1.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@@H](C)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H31FN4O4.C25H30FN3O4.C23H26F3N3O3.C23H27FN4O4.C23H28FN3O3/c1-13-12-17(10-11-18(13)26)28-23(32)19-14(2)21(30(5)15(19)3)22(31)25(34)29-20(24(33)27-4)16-8-6-7-9-16;1-6-19(30)21(16-8-7-9-16)28-25(33)23(31)22-14(3)20(15(4)29(22)5)24(32)27-17-10-11-18(26)13(2)12-17;1-6-22(10-23(25,26)11-22)28-21(32)19(30)18-13(3)17(14(4)29(18)5)20(31)27-15-7-8-16(24)12(2)9-15;1-11-10-15(8-9-16(11)24)26-21(30)17-12(2)19(28(5)13(17)3)20(29)23(32)27-18(14-6-7-14)22(31)25-4;1-12-6-7-16(10-12)26-23(30)21(28)20-14(3)19(15(4)27(20)5)22(29)25-17-8-9-18(24)13(2)11-17/h10-12,16,20H,6-9H2,1-5H3,(H,27,33)(H,28,32)(H,29,34);10-12,16,21H,6-9H2,1-5H3,(H,27,32)(H,28,33);7-9H,6,10-11H2,1-5H3,(H,27,31)(H,28,32);8-10,14,18H,6-7H2,1-5H3,(H,25,31)(H,26,30)(H,27,32);8-9,11-12,16H,6-7,10H2,1-5H3,(H,25,29)(H,26,30)/t20-;21-;;18-;12-,16-/m00.01/s1
• InChIKey: ZKMUJGLHFHRQCL-DZTGOMFSSA-N
• XLogP: 16.95
• TPSA: 476.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.53
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	12
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-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 162145578) is 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is CCC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CCC1.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(F)(F)C1.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CC1.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C1CCCC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@@H](C)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is ZKMUJGLHFHRQCL-DZTGOMFSSA-N. The full InChI is InChI=1S/C25H31FN4O4.C25H30FN3O4.C23H26F3N3O3.C23H27FN4O4.C23H28FN3O3/c1-13-12-17(10-11-18(13)26)28-23(32)19-14(2)21(30(5)15(19)3)22(31)25(34)29-20(24(33)27-4)16-8-6-7-9-16;1-6-19(30)21(16-8-7-9-16)28-25(33)23(31)22-14(3)20(15(4)29(22)5)24(32)27-17-10-11-18(26)13(2)12-17;1-6-22(10-23(25,26)11-22)28-21(32)19(30)18-13(3)17(14(4)29(18)5)20(31)27-15-7-8-16(24)12(2)9-15;1-11-10-15(8-9-16(11)24)26-21(30)17-12(2)19(28(5)13(17)3)20(29)23(32)27-18(14-6-7-14)22(31)25-4;1-12-6-7-16(10-12)26-23(30)21(28)20-14(3)19(15(4)27(20)5)22(29)25-17-8-9-18(24)13(2)11-17/h10-12,16,20H,6-9H2,1-5H3,(H,27,33)(H,28,32)(H,29,34);10-12,16,21H,6-9H2,1-5H3,(H,27,32)(H,28,33);7-9H,6,10-11H2,1-5H3,(H,27,31)(H,28,32);8-10,14,18H,6-7H2,1-5H3,(H,25,31)(H,26,30)(H,27,32);8-9,11-12,16H,6-7,10H2,1-5H3,(H,25,29)(H,26,30)/t20-;21-;;18-;12-,16-/m00.01/s1.

What are the key properties of 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2231.53 g/mol, XLogP of 16.95, 33 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(1S)-1-cyclobutyl-2-oxobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopentyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 162145578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).