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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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

C102H120F4N16O15S2 — CID 160646775

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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 160646775) has the molecular formula C102H120F4N16O15S2 and a molecular weight of 1950.30 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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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: 160646775
• Molecular Formula: C102H120F4N16O15S2
• Molecular Weight: 1950.30 g/mol
• Exact Mass: 1948.85
• 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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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: CCCNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)(C)C.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(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C2CCOCC2)n1
• InChI: InChI=1S/C26H30FN5O5.C26H35FN4O4.C25H27FN4O3S.C25H28FN3O3S/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;1-9-12-28-25(35)22(26(5,6)7)30-24(34)21(32)20-15(3)19(16(4)31(20)8)23(33)29-17-10-11-18(27)14(2)13-17;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/h6-7,12,17,21H,8-11H2,1-5H3,(H,29,34)(H,30,35);10-11,13,22H,9,12H2,1-8H3,(H,28,35)(H,29,33)(H,30,34);8-11,16,20H,6-7H2,1-5H3,(H,28,32)(H,29,33);8-12H,1-7H3,(H,27,31)(H,28,32)/t;22-;;/m.0../s1
• InChIKey: RJWNAEQGBYDTTR-HRRNSCMASA-N
• XLogP: 16.58
• TPSA: 410.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.30
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 160646775) 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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 CCCNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)(C)C.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(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 RJWNAEQGBYDTTR-HRRNSCMASA-N. The full InChI is InChI=1S/C26H30FN5O5.C26H35FN4O4.C25H27FN4O3S.C25H28FN3O3S/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;1-9-12-28-25(35)22(26(5,6)7)30-24(34)21(32)20-15(3)19(16(4)31(20)8)23(33)29-17-10-11-18(27)14(2)13-17;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/h6-7,12,17,21H,8-11H2,1-5H3,(H,29,34)(H,30,35);10-11,13,22H,9,12H2,1-8H3,(H,28,35)(H,29,33)(H,30,34);8-11,16,20H,6-7H2,1-5H3,(H,28,32)(H,29,33);8-12H,1-7H3,(H,27,31)(H,28,32)/t;22-;;/m.0../s1.

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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 1950.30 g/mol, XLogP of 16.58, 28 rotatable bonds, 9 hydrogen bond donors, and 24 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;5-[2-[[(2R)-3,3-dimethyl-1-oxo-1-(propylamino)butan-2-yl]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-[[(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 160646775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).