5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide

C96H108F6N18O15 — CID 159421458

About 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide

5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide (PubChem CID 159421458) has the molecular formula C96H108F6N18O15 and a molecular weight of 1868.02 g/mol. Its IUPAC name is 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide
• PubChem CID: 159421458
• Molecular Formula: C96H108F6N18O15
• Molecular Weight: 1868.02 g/mol
• Exact Mass: 1866.81
• IUPAC Name: 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3nc(CN(C)C)no3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3cccnc3)n(C)c2C)ccc1F.Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3CCF)CC2)n1
• InChI: InChI=1S/C26H32F2N6O4.C24H25F2N5O4.C24H30FN3O4.C22H21FN4O3/c1-14-12-17(8-9-18(14)28)29-23(36)20-15(2)21(34(11-10-27)16(20)3)22(35)24(37)31-26(4,5)25-30-19(32-38-25)13-33(6)7;1-12-11-16(5-6-17(12)26)28-21(33)18-13(2)19(31(10-9-25)14(18)3)20(32)22(34)29-24(7-8-24)23-27-15(4)30-35-23;1-13-12-17(6-7-18(13)25)27-22(30)19-14(2)20(28(5)15(19)3)21(29)23(31)26-16-8-10-24(4,32)11-9-16;1-12-10-15(7-8-17(12)23)25-21(29)18-13(2)19(27(4)14(18)3)20(28)22(30)26-16-6-5-9-24-11-16/h8-9,12H,10-11,13H2,1-7H3,(H,29,36)(H,31,37);5-6,11H,7-10H2,1-4H3,(H,28,33)(H,29,34);6-7,12,16,32H,8-11H2,1-5H3,(H,26,31)(H,27,30);5-11H,1-4H3,(H,25,29)(H,26,30)
• InChIKey: LPUYGSUPBFOEGE-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 435.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.02
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide (CID 159421458) is 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3nc(CN(C)C)no3)n(CCF)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)(O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3cccnc3)n(C)c2C)ccc1F.Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3CCF)CC2)n1.

What is the InChIKey of 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide?

The InChIKey is LPUYGSUPBFOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O4.C24H25F2N5O4.C24H30FN3O4.C22H21FN4O3/c1-14-12-17(8-9-18(14)28)29-23(36)20-15(2)21(34(11-10-27)16(20)3)22(35)24(37)31-26(4,5)25-30-19(32-38-25)13-33(6)7;1-12-11-16(5-6-17(12)26)28-21(33)18-13(2)19(31(10-9-25)14(18)3)20(32)22(34)29-24(7-8-24)23-27-15(4)30-35-23;1-13-12-17(6-7-18(13)25)27-22(30)19-14(2)20(28(5)15(19)3)21(29)23(31)26-16-8-10-24(4,32)11-9-16;1-12-10-15(7-8-17(12)23)25-21(29)18-13(2)19(27(4)14(18)3)20(28)22(30)26-16-6-5-9-24-11-16/h8-9,12H,10-11,13H2,1-7H3,(H,29,36)(H,31,37);5-6,11H,7-10H2,1-4H3,(H,28,33)(H,29,34);6-7,12,16,32H,8-11H2,1-5H3,(H,26,31)(H,27,30);5-11H,1-4H3,(H,25,29)(H,26,30).

What are the key properties of 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide?

5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide has a molecular weight of 1868.02 g/mol, XLogP of 13.80, 28 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-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-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159421458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).