5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate

C127H125F4N13O17S — CID 158276314

About 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate (PubChem CID 158276314) has the molecular formula C127H125F4N13O17S and a molecular weight of 2213.53 g/mol. Its IUPAC name is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate
• PubChem CID: 158276314
• Molecular Formula: C127H125F4N13O17S
• Molecular Weight: 2213.53 g/mol
• Exact Mass: 2211.90
• IUPAC Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate
• SMILES: CC(=O)CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)c(F)c3)ccn2)c1.CC(=O)CNC(=O)c1cc(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)cs1.COC(=O)C1CCCN1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCOCC5)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C35H37FN4O5.C33H35FN4O4.C30H28FN3O4.C29H25FN2O4S/c1-23-6-11-30(36)25(17-23)19-27(41)18-24-7-9-28(10-8-24)45-29-12-14-37-32(21-29)31-20-26(22-39-31)34(42)38-13-4-16-40-15-3-5-33(40)35(43)44-2;1-23-3-8-30(34)25(17-23)19-27(39)18-24-4-6-28(7-5-24)42-29-9-11-35-32(21-29)31-20-26(22-37-31)33(40)36-10-2-12-38-13-15-41-16-14-38;1-19-4-3-5-21(12-19)13-24(36)14-22-6-7-25(16-27(22)31)38-26-9-11-32-29(17-26)28-15-23(18-34-28)30(37)33-10-8-20(2)35;1-18-3-8-26(30)21(11-18)13-23(34)12-20-4-6-24(7-5-20)36-25-9-10-31-27(15-25)22-14-28(37-17-22)29(35)32-16-19(2)33/h6-12,14,17,20-22,33,39H,3-5,13,15-16,18-19H2,1-2H3,(H,38,42);3-9,11,17,20-22,37H,2,10,12-16,18-19H2,1H3,(H,36,40);3-7,9,11-12,15-18,34H,8,10,13-14H2,1-2H3,(H,33,37);3-11,14-15,17H,12-13,16H2,1-2H3,(H,32,35)
• InChIKey: GJQMWUOCLSKWFG-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 396.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2213.53
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate?

The IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate (CID 158276314) is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate?

The canonical SMILES for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate is CC(=O)CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)c(F)c3)ccn2)c1.CC(=O)CNC(=O)c1cc(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)cs1.COC(=O)C1CCCN1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCOCC5)c[nH]4)c3)cc2)c1.

What is the InChIKey of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate?

The InChIKey is GJQMWUOCLSKWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O5.C33H35FN4O4.C30H28FN3O4.C29H25FN2O4S/c1-23-6-11-30(36)25(17-23)19-27(41)18-24-7-9-28(10-8-24)45-29-12-14-37-32(21-29)31-20-26(22-39-31)34(42)38-13-4-16-40-15-3-5-33(40)35(43)44-2;1-23-3-8-30(34)25(17-23)19-27(39)18-24-4-6-28(7-5-24)42-29-9-11-35-32(21-29)31-20-26(22-37-31)33(40)36-10-2-12-38-13-15-41-16-14-38;1-19-4-3-5-21(12-19)13-24(36)14-22-6-7-25(16-27(22)31)38-26-9-11-32-29(17-26)28-15-23(18-34-28)30(37)33-10-8-20(2)35;1-18-3-8-26(30)21(11-18)13-23(34)12-20-4-6-24(7-5-20)36-25-9-10-31-27(15-25)22-14-28(37-17-22)29(35)32-16-19(2)33/h6-12,14,17,20-22,33,39H,3-5,13,15-16,18-19H2,1-2H3,(H,38,42);3-9,11,17,20-22,37H,2,10,12-16,18-19H2,1H3,(H,36,40);3-7,9,11-12,15-18,34H,8,10,13-14H2,1-2H3,(H,33,37);3-11,14-15,17H,12-13,16H2,1-2H3,(H,32,35).

What are the key properties of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate?

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate has a molecular weight of 2213.53 g/mol, XLogP of 21.65, 46 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 158276314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).