N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

C119H110Cl6FN27O6S5 — CID 159187340

About N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (PubChem CID 159187340) has the molecular formula C119H110Cl6FN27O6S5 and a molecular weight of 2406.42 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.

Molecular Properties

• Compound Name: N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
• PubChem CID: 159187340
• Molecular Formula: C119H110Cl6FN27O6S5
• Molecular Weight: 2406.42 g/mol
• Exact Mass: 2401.59
• IUPAC Name: N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
• SMILES: CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C3CCNCC3)c(-c3ncn[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCC(C)(F)CC3)c(-c3ncn[nH]3)s2)ccn1.COC(c1ccc(Cl)cc1)c1cc(-c2ccnc(NC(C)=O)c2)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)sc1C1=NN=CC1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(-c2ncn[nH]2)c1C(c1ccc(Cl)cc1)N1CCCCC1
• InChI: InChI=1S/C26H26ClFN6OS.C26H28ClN7OS.C26H24ClN7OS.C22H19ClN4O2S.C19H13Cl2N3OS/c1-16(35)32-22-13-18(7-10-29-22)21-14-20(24(36-21)25-30-15-31-33-25)23(17-3-5-19(27)6-4-17)34-11-8-26(2,28)9-12-34;1-16(35)32-23-13-18(7-12-29-23)22-14-21(25(36-22)26-30-15-31-33-26)24(17-3-5-19(27)6-4-17)34(2)20-8-10-28-11-9-20;1-16(35)32-20-14-18(10-11-29-20)24-22(28-2)21(25(36-24)26-30-15-31-33-26)23(34-12-4-3-5-13-34)17-6-8-19(27)9-7-17;1-13(28)27-19-11-15(7-8-24-19)18-12-17(21(30-18)22-25-9-10-26-22)20(29-2)14-3-5-16(23)6-4-14;20-12-1-2-13(15(21)9-12)18(25)14-10-17(11-3-6-22-7-4-11)26-19(14)16-5-8-23-24-16/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3,(H,29,32,35)(H,30,31,33);3-7,12-15,20,24,28H,8-11H2,1-2H3,(H,29,32,35)(H,30,31,33);6-11,14-15,23H,3-5,12-13H2,1H3,(H,29,32,35)(H,30,31,33);3-12,20H,1-2H3,(H,25,26)(H,24,27,28);1-4,6-10,18,25H,5H2
• InChIKey: KNQPEOCLESZGPC-UHFFFAOYSA-N
• XLogP: 28.36
• TPSA: 414.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.42
LogP ≤ 5	28.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The IUPAC name of N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (CID 159187340) is N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.

What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The canonical SMILES for N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C3CCNCC3)c(-c3ncn[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCC(C)(F)CC3)c(-c3ncn[nH]3)s2)ccn1.COC(c1ccc(Cl)cc1)c1cc(-c2ccnc(NC(C)=O)c2)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)sc1C1=NN=CC1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(-c2ncn[nH]2)c1C(c1ccc(Cl)cc1)N1CCCCC1.

What is the InChIKey of N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The InChIKey is KNQPEOCLESZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6OS.C26H28ClN7OS.C26H24ClN7OS.C22H19ClN4O2S.C19H13Cl2N3OS/c1-16(35)32-22-13-18(7-10-29-22)21-14-20(24(36-21)25-30-15-31-33-25)23(17-3-5-19(27)6-4-17)34-11-8-26(2,28)9-12-34;1-16(35)32-23-13-18(7-12-29-23)22-14-21(25(36-22)26-30-15-31-33-26)24(17-3-5-19(27)6-4-17)34(2)20-8-10-28-11-9-20;1-16(35)32-20-14-18(10-11-29-20)24-22(28-2)21(25(36-24)26-30-15-31-33-26)23(34-12-4-3-5-13-34)17-6-8-19(27)9-7-17;1-13(28)27-19-11-15(7-8-24-19)18-12-17(21(30-18)22-25-9-10-26-22)20(29-2)14-3-5-16(23)6-4-14;20-12-1-2-13(15(21)9-12)18(25)14-10-17(11-3-6-22-7-4-11)26-19(14)16-5-8-23-24-16/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3,(H,29,32,35)(H,30,31,33);3-7,12-15,20,24,28H,8-11H2,1-2H3,(H,29,32,35)(H,30,31,33);6-11,14-15,23H,3-5,12-13H2,1H3,(H,29,32,35)(H,30,31,33);3-12,20H,1-2H3,(H,25,26)(H,24,27,28);1-4,6-10,18,25H,5H2.

What are the key properties of N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol has a molecular weight of 2406.42 g/mol, XLogP of 28.36, 29 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(4-chlorophenyl)-(4-fluoro-4-methylpiperidin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-methoxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[methyl(piperidin-4-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2,4-dichlorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is sourced from PubChem (CID 159187340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).