1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide

C125H119F5N12O15S — CID 158235229

About 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide

1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide (PubChem CID 158235229) has the molecular formula C125H119F5N12O15S and a molecular weight of 2156.45 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide
• PubChem CID: 158235229
• Molecular Formula: C125H119F5N12O15S
• Molecular Weight: 2156.45 g/mol
• Exact Mass: 2154.86
• IUPAC Name: 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide
• SMILES: C=C(O)C1CCN(C(=O)c2c[nH]c(-c3cc(Oc4ccc(CC(=O)Cc5cc(C)ccc5F)c(F)c4)ccn3)c2)C1.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.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCCCC5)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C34H37FN4O3.C32H29F2N3O4.C30H28FN3O4.C29H25FN2O4S/c1-24-6-11-31(35)26(18-24)20-28(40)19-25-7-9-29(10-8-25)42-30-12-14-36-33(22-30)32-21-27(23-38-32)34(41)37-13-5-17-39-15-3-2-4-16-39;1-19-3-6-28(33)23(11-19)13-25(39)12-21-4-5-26(15-29(21)34)41-27-7-9-35-31(16-27)30-14-24(17-36-30)32(40)37-10-8-22(18-37)20(2)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/h6-12,14,18,21-23,38H,2-5,13,15-17,19-20H2,1H3,(H,37,41);3-7,9,11,14-17,22,36,38H,2,8,10,12-13,18H2,1H3;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: GEWNYOXMQYHQFE-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 369.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.45
LogP ≤ 5	23.72
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-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide?

The IUPAC name of 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide (CID 158235229) is 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide.

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

The canonical SMILES for 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide is C=C(O)C1CCN(C(=O)c2c[nH]c(-c3cc(Oc4ccc(CC(=O)Cc5cc(C)ccc5F)c(F)c4)ccn3)c2)C1.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.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCCCC5)c[nH]4)c3)cc2)c1.

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

The InChIKey is GEWNYOXMQYHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN4O3.C32H29F2N3O4.C30H28FN3O4.C29H25FN2O4S/c1-24-6-11-31(35)26(18-24)20-28(40)19-25-7-9-29(10-8-25)42-30-12-14-36-33(22-30)32-21-27(23-38-32)34(41)37-13-5-17-39-15-3-2-4-16-39;1-19-3-6-28(33)23(11-19)13-25(39)12-21-4-5-26(15-29(21)34)41-27-7-9-35-31(16-27)30-14-24(17-36-30)32(40)37-10-8-22(18-37)20(2)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/h6-12,14,18,21-23,38H,2-5,13,15-17,19-20H2,1H3,(H,37,41);3-7,9,11,14-17,22,36,38H,2,8,10,12-13,18H2,1H3;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 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide?

1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 2156.45 g/mol, XLogP of 23.72, 42 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;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;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158235229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).