N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C118H141F5N20O19S — CID 159271848

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159271848) has the molecular formula C118H141F5N20O19S and a molecular weight of 2270.60 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159271848
• Molecular Formula: C118H141F5N20O19S
• Molecular Weight: 2270.60 g/mol
• Exact Mass: 2269.03
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: C=C(C)N1CCC(C)(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.C=C1CC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(=O)N1.C=C1C[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CN1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCN(S(C)(=O)=O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(C)C(=O)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/C26H33FN4O3.C24H31FN4O5S.C23H25FN4O4.C23H27FN4O4.C22H25FN4O3/c1-15(2)31-12-10-26(6,11-13-31)29-25(34)23(32)22-17(4)21(18(5)30(22)7)24(33)28-19-8-9-20(27)16(3)14-19;1-14-13-17(7-8-18(14)25)26-22(31)19-15(2)20(28(5)16(19)3)21(30)23(32)27-24(4)9-11-29(12-10-24)35(6,33)34;1-11-8-15(6-7-17(11)24)26-22(31)19-13(3)20(28(5)14(19)4)21(30)23(32)27-16-9-12(2)25-18(29)10-16;1-12-10-15(6-7-17(12)24)25-22(31)19-13(2)20(28(5)14(19)3)21(30)23(32)26-16-8-9-27(4)18(29)11-16;1-11-8-15(6-7-17(11)23)25-21(29)18-13(3)19(27(5)14(18)4)20(28)22(30)26-16-9-12(2)24-10-16/h8-9,14H,1,10-13H2,2-7H3,(H,28,33)(H,29,34);7-8,13H,9-12H2,1-6H3,(H,26,31)(H,27,32);6-8,16H,2,9-10H2,1,3-5H3,(H,25,29)(H,26,31)(H,27,32);6-7,10,16H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-8,16,24H,2,9-10H2,1,3-5H3,(H,25,29)(H,26,30)/t;;;;16-/m....1/s1
• InChIKey: KXUVFIBQPYDZAV-KKWQPCGESA-N
• XLogP: 13.69
• TPSA: 503.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.60
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	12
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 N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159271848) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is C=C(C)N1CCC(C)(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.C=C1CC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC(=O)N1.C=C1C[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CN1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CCN(S(C)(=O)=O)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(C)C(=O)C3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is KXUVFIBQPYDZAV-KKWQPCGESA-N. The full InChI is InChI=1S/C26H33FN4O3.C24H31FN4O5S.C23H25FN4O4.C23H27FN4O4.C22H25FN4O3/c1-15(2)31-12-10-26(6,11-13-31)29-25(34)23(32)22-17(4)21(18(5)30(22)7)24(33)28-19-8-9-20(27)16(3)14-19;1-14-13-17(7-8-18(14)25)26-22(31)19-15(2)20(28(5)16(19)3)21(30)23(32)27-24(4)9-11-29(12-10-24)35(6,33)34;1-11-8-15(6-7-17(11)24)26-22(31)19-13(3)20(28(5)14(19)4)21(30)23(32)27-16-9-12(2)25-18(29)10-16;1-12-10-15(6-7-17(12)24)25-22(31)19-13(2)20(28(5)14(19)3)21(30)23(32)26-16-8-9-27(4)18(29)11-16;1-11-8-15(6-7-17(11)23)25-21(29)18-13(3)19(27(5)14(18)4)20(28)22(30)26-16-9-12(2)24-10-16/h8-9,14H,1,10-13H2,2-7H3,(H,28,33)(H,29,34);7-8,13H,9-12H2,1-6H3,(H,26,31)(H,27,32);6-8,16H,2,9-10H2,1,3-5H3,(H,25,29)(H,26,31)(H,27,32);6-7,10,16H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-8,16,24H,2,9-10H2,1,3-5H3,(H,25,29)(H,26,30)/t;;;;16-/m....1/s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2270.60 g/mol, XLogP of 13.69, 27 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methylidene-6-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-5-methylidenepyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(1-methyl-2-oxopiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159271848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).