5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

C111H133F8N19O17 — CID 158370301

About 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 158370301) has the molecular formula C111H133F8N19O17 and a molecular weight of 2157.38 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
• PubChem CID: 158370301
• Molecular Formula: C111H133F8N19O17
• Molecular Weight: 2157.38 g/mol
• Exact Mass: 2156.00
• IUPAC Name: 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-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)Nc3cnc(F)c(C)c3)c(C)n2C)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2cnc(F)c(C)c2)c(C)n1C)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)cnc1F.Cc1cnc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)o1
• InChI: InChI=1S/C24H25FN4O4.C23H29F2N3O3.C22H25F3N4O3.C21H27FN4O4.C21H27FN4O3/c1-12-10-16(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;1-6-21(9-22(24,25)10-21)28-20(32)17(30)16-12(3)15(13(4)29(16)5)19(31)27-14-7-11(2)18(23)26-8-14;1-7-15(13(5)27)25-21(30)18(28)17-11(3)16(12(4)26(17)6)20(29)24-14-8-10(2)19(22)23-9-14;1-11-8-14(9-23-18(11)22)25-19(28)15-12(2)16(26(7)13(15)3)17(27)20(29)24-10-21(4,5)6/h6-7,10-11H,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);7-8H,6,9-10H2,1-5H3,(H,27,31)(H,28,32);8-9,13,15,27H,7H2,1-6H3,(H,24,29)(H,25,30);8-9H,10H2,1-7H3,(H,24,29)(H,25,28)/t;;;13-,15-;/m...1./s1
• InChIKey: GUNKVJZSUZVRCR-NLALDVDESA-N
• XLogP: 16.78
• TPSA: 485.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2157.38
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

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]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The IUPAC name of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (CID 158370301) is 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-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)Nc3cnc(F)c(C)c3)c(C)n2C)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2cnc(F)c(C)c2)c(C)n1C)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)cnc1F.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 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The InChIKey is GUNKVJZSUZVRCR-NLALDVDESA-N. The full InChI is InChI=1S/C24H25FN4O4.C23H29F2N3O3.C22H25F3N4O3.C21H27FN4O4.C21H27FN4O3/c1-12-10-16(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;1-6-21(9-22(24,25)10-21)28-20(32)17(30)16-12(3)15(13(4)29(16)5)19(31)27-14-7-11(2)18(23)26-8-14;1-7-15(13(5)27)25-21(30)18(28)17-11(3)16(12(4)26(17)6)20(29)24-14-8-10(2)19(22)23-9-14;1-11-8-14(9-23-18(11)22)25-19(28)15-12(2)16(26(7)13(15)3)17(27)20(29)24-10-21(4,5)6/h6-7,10-11H,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);7-8H,6,9-10H2,1-5H3,(H,27,31)(H,28,32);8-9,13,15,27H,7H2,1-6H3,(H,24,29)(H,25,30);8-9H,10H2,1-7H3,(H,24,29)(H,25,28)/t;;;13-,15-;/m...1./s1.

What are the key properties of 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 2157.38 g/mol, XLogP of 16.78, 33 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-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)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 158370301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).