1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one

C184H199ClF9N20O15+ — CID 157296923

About 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one

1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one (PubChem CID 157296923) has the molecular formula C184H199ClF9N20O15+ and a molecular weight of 3137.18 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one.

Molecular Properties

• Compound Name: 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
• PubChem CID: 157296923
• Molecular Formula: C184H199ClF9N20O15+
• Molecular Weight: 3137.18 g/mol
• Exact Mass: 3134.50
• IUPAC Name: 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
• SMILES: Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3F)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.Cc1cccc(CNC(=O)Cc2ncc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.O=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(Cl)cc2)cn1.O=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(F)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1.O=C(Cc1ccc(-c2ccccc2)c[n+]1O)NCc1cccc(F)c1
• InChI: InChI=1S/C28H30ClFN2O2.C28H30F2N2O2.C28H33FN4O2.C27H28F2N2O3.C27H32FN5O2.C26H28FN3O2.C20H17FN2O2/c2*29-24-8-5-22(6-9-24)23-7-10-26(31-20-23)19-27(33)11-4-21-16-25(30)18-28(17-21)34-15-14-32-12-2-1-3-13-32;1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;28-22-3-1-2-20(16-22)4-7-24(32)17-23-6-5-21(19-30-23)26-9-8-25(18-27(26)29)34-15-12-31-10-13-33-14-11-31;1-20-4-3-5-21(14-20)17-31-27(34)16-26-29-18-22(19-30-26)24-7-6-23(15-25(24)28)35-13-12-33-10-8-32(2)9-11-33;1-19-3-2-4-20(13-19)16-29-26(31)15-23-7-6-22(17-28-23)24-8-5-21(14-25(24)27)18-30-9-11-32-12-10-30;21-18-8-4-5-15(11-18)13-22-20(24)12-19-10-9-17(14-23(19)25)16-6-2-1-3-7-16/h2*5-10,16-18,20H,1-4,11-15,19H2;3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);1-3,5-6,8-9,16,18-19H,4,7,10-15,17H2;3-7,14-15,18-19H,8-13,16-17H2,1-2H3,(H,31,34);2-8,13-14,17H,9-12,15-16,18H2,1H3,(H,29,31);1-11,14H,12-13H2,(H-,22,24,25)/p+1
• InChIKey: HAKGUMSWNVLVIO-UHFFFAOYSA-O
• XLogP: 29.79
• TPSA: 372.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 60
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3137.18
LogP ≤ 5	29.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?

The IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one (CID 157296923) is 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one.

What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?

The canonical SMILES for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one is Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3F)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.Cc1cccc(CNC(=O)Cc2ncc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.O=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(Cl)cc2)cn1.O=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(F)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1.O=C(Cc1ccc(-c2ccccc2)c[n+]1O)NCc1cccc(F)c1.

What is the InChIKey of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?

The InChIKey is HAKGUMSWNVLVIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H30ClFN2O2.C28H30F2N2O2.C28H33FN4O2.C27H28F2N2O3.C27H32FN5O2.C26H28FN3O2.C20H17FN2O2/c2*29-24-8-5-22(6-9-24)23-7-10-26(31-20-23)19-27(33)11-4-21-16-25(30)18-28(17-21)34-15-14-32-12-2-1-3-13-32;1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;28-22-3-1-2-20(16-22)4-7-24(32)17-23-6-5-21(19-30-23)26-9-8-25(18-27(26)29)34-15-12-31-10-13-33-14-11-31;1-20-4-3-5-21(14-20)17-31-27(34)16-26-29-18-22(19-30-26)24-7-6-23(15-25(24)28)35-13-12-33-10-8-32(2)9-11-33;1-19-3-2-4-20(13-19)16-29-26(31)15-23-7-6-22(17-28-23)24-8-5-21(14-25(24)27)18-30-9-11-32-12-10-30;21-18-8-4-5-15(11-18)13-22-20(24)12-19-10-9-17(14-23(19)25)16-6-2-1-3-7-16/h2*5-10,16-18,20H,1-4,11-15,19H2;3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);1-3,5-6,8-9,16,18-19H,4,7,10-15,17H2;3-7,14-15,18-19H,8-13,16-17H2,1-2H3,(H,31,34);2-8,13-14,17H,9-12,15-16,18H2,1H3,(H,29,31);1-11,14H,12-13H2,(H-,22,24,25)/p+1.

What are the key properties of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?

1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one has a molecular weight of 3137.18 g/mol, XLogP of 29.79, 60 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one is sourced from PubChem (CID 157296923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).