5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide

C98H109F4N17O15S2 — CID 159176562

About 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159176562) has the molecular formula C98H109F4N17O15S2 and a molecular weight of 1905.18 g/mol. Its IUPAC name is 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159176562
• Molecular Formula: C98H109F4N17O15S2
• Molecular Weight: 1905.18 g/mol
• Exact Mass: 1903.77
• IUPAC Name: 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1ccc(C(C)(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)s1.Cc1cnc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C2CC2)s1.Cc1noc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1.Cc1noc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C2CCOCC2)n1
• InChI: InChI=1S/C26H30FN5O5.C25H27FN4O3S.C25H28FN3O3S.C22H24FN5O4/c1-13-12-18(6-7-19(13)27)29-24(34)20-14(2)22(32(5)15(20)3)23(33)25(35)30-21(17-8-10-36-11-9-17)26-28-16(4)31-37-26;1-12-10-17(8-9-18(12)26)28-23(32)19-14(3)21(30(5)15(19)4)22(31)24(33)29-20(16-6-7-16)25-27-11-13(2)34-25;1-13-12-17(9-10-18(13)26)27-23(31)20-15(3)21(29(7)16(20)4)22(30)24(32)28-25(5,6)19-11-8-14(2)33-19;1-10-9-15(7-8-16(10)23)26-20(30)17-11(2)18(28(6)13(17)4)19(29)21(31)24-12(3)22-25-14(5)27-32-22/h6-7,12,17,21H,8-11H2,1-5H3,(H,29,34)(H,30,35);8-11,16,20H,6-7H2,1-5H3,(H,28,32)(H,29,33);8-12H,1-7H3,(H,27,31)(H,28,32);7-9,12H,1-6H3,(H,24,31)(H,26,30)
• InChIKey: KMIVNBGLTOOPQY-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 420.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1905.18
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159176562) is 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1ccc(C(C)(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)s1.Cc1cnc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C2CC2)s1.Cc1noc(C(C)NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)n1.Cc1noc(C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C2CCOCC2)n1.

What is the InChIKey of 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is KMIVNBGLTOOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5.C25H27FN4O3S.C25H28FN3O3S.C22H24FN5O4/c1-13-12-18(6-7-19(13)27)29-24(34)20-14(2)22(32(5)15(20)3)23(33)25(35)30-21(17-8-10-36-11-9-17)26-28-16(4)31-37-26;1-12-10-17(8-9-18(12)26)28-23(32)19-14(3)21(30(5)15(19)4)22(31)24(33)29-20(16-6-7-16)25-27-11-13(2)34-25;1-13-12-17(9-10-18(13)26)27-23(31)20-15(3)21(29(7)16(20)4)22(30)24(32)28-25(5,6)19-11-8-14(2)33-19;1-10-9-15(7-8-16(10)23)26-20(30)17-11(2)18(28(6)13(17)4)19(29)21(31)24-12(3)22-25-14(5)27-32-22/h6-7,12,17,21H,8-11H2,1-5H3,(H,29,34)(H,30,35);8-11,16,20H,6-7H2,1-5H3,(H,28,32)(H,29,33);8-12H,1-7H3,(H,27,31)(H,28,32);7-9,12H,1-6H3,(H,24,31)(H,26,30).

What are the key properties of 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 1905.18 g/mol, XLogP of 16.10, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159176562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).