1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide

C125H121F3N12O17S — CID 158669685

About 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide

1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide (PubChem CID 158669685) has the molecular formula C125H121F3N12O17S and a molecular weight of 2152.47 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 158669685
• Molecular Formula: C125H121F3N12O17S
• Molecular Weight: 2152.47 g/mol
• Exact Mass: 2150.86
• IUPAC Name: 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
• SMILES: C=C(O)C1CCN(C(=O)c2c[nH]c(-c3cc(Oc4ccc(CC(=O)Cc5cc(C)ccc5F)cc4)ccn3)c2)C1.CC(=O)CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CC(=O)CCCS(C)(=O)=NC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)cc3)ccn2)c1.CC(=O)CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1
• InChI: InChI=1S/C32H30FN3O4.C32H33N3O5S.C31H30FN3O4.C30H28FN3O4/c1-20-3-8-29(33)24(13-20)15-26(38)14-22-4-6-27(7-5-22)40-28-9-11-34-31(17-28)30-16-25(18-35-30)32(39)36-12-10-23(19-36)21(2)37;1-22-6-4-8-25(16-22)18-27(37)17-24-9-11-28(12-10-24)40-29-13-14-33-31(20-29)30-19-26(21-34-30)32(38)35-41(3,39)15-5-7-23(2)36;1-20-5-10-28(32)23(14-20)16-25(37)15-22-6-8-26(9-7-22)39-27-11-13-33-30(18-27)29-17-24(19-35-29)31(38)34-12-3-4-21(2)36;1-19-3-8-27(31)22(13-19)15-24(36)14-21-4-6-25(7-5-21)38-26-10-12-32-29(17-26)28-16-23(18-34-28)30(37)33-11-9-20(2)35/h3-9,11,13,16-18,23,35,37H,2,10,12,14-15,19H2,1H3;4,6,8-14,16,19-21,34H,5,7,15,17-18H2,1-3H3;5-11,13-14,17-19,35H,3-4,12,15-16H2,1-2H3,(H,34,38);3-8,10,12-13,16-18,34H,9,11,14-15H2,1-2H3,(H,33,37)
• InChIKey: IDUHBPAWKDXJAX-UHFFFAOYSA-N
• XLogP: 23.49
• TPSA: 416.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 44
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.47
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide (CID 158669685) is 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide is C=C(O)C1CCN(C(=O)c2c[nH]c(-c3cc(Oc4ccc(CC(=O)Cc5cc(C)ccc5F)cc4)ccn3)c2)C1.CC(=O)CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CC(=O)CCCS(C)(=O)=NC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)cc3)ccn2)c1.CC(=O)CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.

What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The InChIKey is IDUHBPAWKDXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O4.C32H33N3O5S.C31H30FN3O4.C30H28FN3O4/c1-20-3-8-29(33)24(13-20)15-26(38)14-22-4-6-27(7-5-22)40-28-9-11-34-31(17-28)30-16-25(18-35-30)32(39)36-12-10-23(19-36)21(2)37;1-22-6-4-8-25(16-22)18-27(37)17-24-9-11-28(12-10-24)40-29-13-14-33-31(20-29)30-19-26(21-34-30)32(38)35-41(3,39)15-5-7-23(2)36;1-20-5-10-28(32)23(14-20)16-25(37)15-22-6-8-26(9-7-22)39-27-11-13-33-30(18-27)29-17-24(19-35-29)31(38)34-12-3-4-21(2)36;1-19-3-8-27(31)22(13-19)15-24(36)14-21-4-6-25(7-5-21)38-26-10-12-32-29(17-26)28-16-23(18-34-28)30(37)33-11-9-20(2)35/h3-9,11,13,16-18,23,35,37H,2,10,12,14-15,19H2,1H3;4,6,8-14,16,19-21,34H,5,7,15,17-18H2,1-3H3;5-11,13-14,17-19,35H,3-4,12,15-16H2,1-2H3,(H,34,38);3-8,10,12-13,16-18,34H,9,11,14-15H2,1-2H3,(H,33,37).

What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide has a molecular weight of 2152.47 g/mol, XLogP of 23.49, 44 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;N-[methyl-oxo-(4-oxopentyl)-λ6-sulfanylidene]-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158669685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).