1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine

C119H97Cl5FN21O6S5 — CID 159067618

About 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine

1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine (PubChem CID 159067618) has the molecular formula C119H97Cl5FN21O6S5 and a molecular weight of 2273.82 g/mol. Its IUPAC name is 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine.

Molecular Properties

• Compound Name: 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine
• PubChem CID: 159067618
• Molecular Formula: C119H97Cl5FN21O6S5
• Molecular Weight: 2273.82 g/mol
• Exact Mass: 2269.50
• IUPAC Name: 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine
• SMILES: CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCC3)c(-c3ncc[nH]3)s2)ccn1.COc1cc(C(O)c2cc(-c3ccnc(Cl)c3)sc2-c2ncc[nH]2)c(F)cc1Cl.O=C(Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1)C1CC1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(Cc3ncco3)c2)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccncc2)sc(-c2ncc[nH]2)c1Cc1ccc2ccccc2c1
• InChI: InChI=1S/C27H27ClN6OS.C25H23ClN4OS.C24H16N4S.C23H17ClN4O2S.C20H14Cl2FN3O2S/c28-20-8-6-17(7-9-20)24(34-12-2-1-3-13-34)21-15-22(36-25(21)26-30-16-31-33-26)19-10-11-29-23(14-19)32-27(35)18-4-5-18;1-16(31)13-20-14-18(7-8-27-20)22-15-21(24(32-22)25-28-9-10-29-25)23(30-11-2-12-30)17-3-5-19(26)6-4-17;1-25-21-20(15-16-6-7-17-4-2-3-5-19(17)14-16)23(24-27-12-13-28-24)29-22(21)18-8-10-26-11-9-18;24-16-3-1-14(2-4-16)21(29)18-13-19(31-22(18)23-27-7-8-28-23)15-5-6-25-17(11-15)12-20-26-9-10-30-20;1-28-15-7-11(14(23)9-13(15)21)18(27)12-8-16(10-2-3-24-17(22)6-10)29-19(12)20-25-4-5-26-20/h6-11,14-16,18,24H,1-5,12-13H2,(H,29,32,35)(H,30,31,33);3-10,14-15,23H,2,11-13H2,1H3,(H,28,29);2-14H,15H2,(H,27,28);1-11,13,21,29H,12H2,(H,27,28);2-9,18,27H,1H3,(H,25,26)
• InChIKey: JZGJLIVLUALOEA-UHFFFAOYSA-N
• XLogP: 29.70
• TPSA: 353.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.82
LogP ≤ 5	29.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The IUPAC name of 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine (CID 159067618) is 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine.

What is the SMILES notation for 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The canonical SMILES for 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine is CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCC3)c(-c3ncc[nH]3)s2)ccn1.COc1cc(C(O)c2cc(-c3ccnc(Cl)c3)sc2-c2ncc[nH]2)c(F)cc1Cl.O=C(Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CCCCC3)c(-c3ncn[nH]3)s2)ccn1)C1CC1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(Cc3ncco3)c2)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccncc2)sc(-c2ncc[nH]2)c1Cc1ccc2ccccc2c1.

What is the InChIKey of 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The InChIKey is JZGJLIVLUALOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6OS.C25H23ClN4OS.C24H16N4S.C23H17ClN4O2S.C20H14Cl2FN3O2S/c28-20-8-6-17(7-9-20)24(34-12-2-1-3-13-34)21-15-22(36-25(21)26-30-16-31-33-26)19-10-11-29-23(14-19)32-27(35)18-4-5-18;1-16(31)13-20-14-18(7-8-27-20)22-15-21(24(32-22)25-28-9-10-29-25)23(30-11-2-12-30)17-3-5-19(26)6-4-17;1-25-21-20(15-16-6-7-17-4-2-3-5-19(17)14-16)23(24-27-12-13-28-24)29-22(21)18-8-10-26-11-9-18;24-16-3-1-14(2-4-16)21(29)18-13-19(31-22(18)23-27-7-8-28-23)15-5-6-25-17(11-15)12-20-26-9-10-30-20;1-28-15-7-11(14(23)9-13(15)21)18(27)12-8-16(10-2-3-24-17(22)6-10)29-19(12)20-25-4-5-26-20/h6-11,14-16,18,24H,1-5,12-13H2,(H,29,32,35)(H,30,31,33);3-10,14-15,23H,2,11-13H2,1H3,(H,28,29);2-14H,15H2,(H,27,28);1-11,13,21,29H,12H2,(H,27,28);2-9,18,27H,1H3,(H,25,26).

What are the key properties of 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine has a molecular weight of 2273.82 g/mol, XLogP of 29.70, 29 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[azetidin-1-yl-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide;4-[5-(1H-imidazol-2-yl)-3-isocyano-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 159067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).