N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine

C116H102Cl3N23O4S5 — CID 158871399

About N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine

N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine (PubChem CID 158871399) has the molecular formula C116H102Cl3N23O4S5 and a molecular weight of 2148.94 g/mol. Its IUPAC name is N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine.

Molecular Properties

• Compound Name: N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine
• PubChem CID: 158871399
• Molecular Formula: C116H102Cl3N23O4S5
• Molecular Weight: 2148.94 g/mol
• Exact Mass: 2145.62
• IUPAC Name: N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine
• SMILES: CC(=O)Nc1cc(-c2cc(C(N=[N+]=[N-])c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CC[C@@H](C)C3)c(-c3ncn[nH]3)s2)ccn1.CC[C@@H]1CCN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)C1.Cc1sc(-c2ccncc2)cc1Cc1ccc2ccccc2c1.OC(c1ccc2ccccc2c1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1
• InChI: InChI=1S/C26H27ClN6OS.C25H25ClN6OS.C23H17N3OS.C21H16ClN7OS.C21H17NS/c1-3-17-9-11-33(14-17)24(18-4-6-20(27)7-5-18)21-13-22(35-25(21)26-29-15-30-32-26)19-8-10-28-23(12-19)31-16(2)34;1-15-8-10-32(13-15)23(17-3-5-19(26)6-4-17)20-12-21(34-24(20)25-28-14-29-31-25)18-7-9-27-22(11-18)30-16(2)33;27-21(18-6-5-15-3-1-2-4-17(15)13-18)19-14-20(16-7-9-24-10-8-16)28-22(19)23-25-11-12-26-23;1-12(30)27-18-10-14(6-7-24-18)17-11-16(20(31-17)21-25-8-9-26-21)19(28-29-23)13-2-4-15(22)5-3-13;1-15-20(14-21(23-15)18-8-10-22-11-9-18)13-16-6-7-17-4-2-3-5-19(17)12-16/h4-8,10,12-13,15,17,24H,3,9,11,14H2,1-2H3,(H,28,31,34)(H,29,30,32);3-7,9,11-12,14-15,23H,8,10,13H2,1-2H3,(H,27,30,33)(H,28,29,31);1-14,21,27H,(H,25,26);2-11,19H,1H3,(H,25,26)(H,24,27,30);2-12,14H,13H2,1H3/t17-,24?;15-,23?;;;/m11.../s1
• InChIKey: JBWUOLXAUIWDNP-SZASCGJCSA-N
• XLogP: 29.18
• TPSA: 367.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.94
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The IUPAC name of N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine (CID 158871399) is N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine.

What is the SMILES notation for N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The canonical SMILES for N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine is CC(=O)Nc1cc(-c2cc(C(N=[N+]=[N-])c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N3CC[C@@H](C)C3)c(-c3ncn[nH]3)s2)ccn1.CC[C@@H]1CCN(C(c2ccc(Cl)cc2)c2cc(-c3ccnc(NC(C)=O)c3)sc2-c2ncn[nH]2)C1.Cc1sc(-c2ccncc2)cc1Cc1ccc2ccccc2c1.OC(c1ccc2ccccc2c1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1.

What is the InChIKey of N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

The InChIKey is JBWUOLXAUIWDNP-SZASCGJCSA-N. The full InChI is InChI=1S/C26H27ClN6OS.C25H25ClN6OS.C23H17N3OS.C21H16ClN7OS.C21H17NS/c1-3-17-9-11-33(14-17)24(18-4-6-20(27)7-5-18)21-13-22(35-25(21)26-29-15-30-32-26)19-8-10-28-23(12-19)31-16(2)34;1-15-8-10-32(13-15)23(17-3-5-19(26)6-4-17)20-12-21(34-24(20)25-28-14-29-31-25)18-7-9-27-22(11-18)30-16(2)33;27-21(18-6-5-15-3-1-2-4-17(15)13-18)19-14-20(16-7-9-24-10-8-16)28-22(19)23-25-11-12-26-23;1-12(30)27-18-10-14(6-7-24-18)17-11-16(20(31-17)21-25-8-9-26-21)19(28-29-23)13-2-4-15(22)5-3-13;1-15-20(14-21(23-15)18-8-10-22-11-9-18)13-16-6-7-17-4-2-3-5-19(17)12-16/h4-8,10,12-13,15,17,24H,3,9,11,14H2,1-2H3,(H,28,31,34)(H,29,30,32);3-7,9,11-12,14-15,23H,8,10,13H2,1-2H3,(H,27,30,33)(H,28,29,31);1-14,21,27H,(H,25,26);2-11,19H,1H3,(H,25,26)(H,24,27,30);2-12,14H,13H2,1H3/t17-,24?;15-,23?;;;/m11.../s1.

What are the key properties of N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine?

N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine has a molecular weight of 2148.94 g/mol, XLogP of 29.18, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[azido-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(3R)-3-methylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol;4-[5-methyl-4-(naphthalen-2-ylmethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 158871399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).