1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

C88H83Cl2N17O4S4 — CID 157483872

About 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (PubChem CID 157483872) has the molecular formula C88H83Cl2N17O4S4 and a molecular weight of 1641.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
• PubChem CID: 157483872
• Molecular Formula: C88H83Cl2N17O4S4
• Molecular Weight: 1641.92 g/mol
• Exact Mass: 1639.51
• IUPAC Name: 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
• SMILES: CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C3CN(C)C3)c(-c3ncn[nH]3)s2)ccn1.COc1ccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c(C)c1.Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C)c(-c3ncc[nH]3)s2)ccn1.Cc1cccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c1
• InChI: InChI=1S/C25H26ClN7OS.C22H21ClN4S.C21H19N3O2S.C20H17N3OS/c1-15(34)30-22-10-17(8-9-27-22)21-11-20(24(35-21)25-28-14-29-31-25)23(16-4-6-18(26)7-5-16)33(3)19-12-32(2)13-19;1-14-12-16(8-9-24-14)19-13-18(21(28-19)22-25-10-11-26-22)20(27(2)3)15-4-6-17(23)7-5-15;1-13-11-15(26-2)3-4-16(13)20(25)17-12-19(14-5-8-22-9-6-14)27-21(17)18-7-10-23-24-18;1-13-3-2-4-15(11-13)19(24)16-12-18(14-5-8-21-9-6-14)25-20(16)17-7-10-22-23-17/h4-11,14,19,23H,12-13H2,1-3H3,(H,27,30,34)(H,28,29,31);4-13,20H,1-3H3,(H,25,26);3-6,8-12,20,25H,7H2,1-2H3;2-6,8-12,19,24H,7H2,1H3
• InChIKey: BWMBFAXANJZYTP-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 259.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.92
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The IUPAC name of 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (CID 157483872) is 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.

What is the SMILES notation for 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The canonical SMILES for 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is CC(=O)Nc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C3CN(C)C3)c(-c3ncn[nH]3)s2)ccn1.COc1ccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c(C)c1.Cc1cc(-c2cc(C(c3ccc(Cl)cc3)N(C)C)c(-c3ncc[nH]3)s2)ccn1.Cc1cccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c1.

What is the InChIKey of 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

The InChIKey is BWMBFAXANJZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7OS.C22H21ClN4S.C21H19N3O2S.C20H17N3OS/c1-15(34)30-22-10-17(8-9-27-22)21-11-20(24(35-21)25-28-14-29-31-25)23(16-4-6-18(26)7-5-16)33(3)19-12-32(2)13-19;1-14-12-16(8-9-24-14)19-13-18(21(28-19)22-25-10-11-26-22)20(27(2)3)15-4-6-17(23)7-5-15;1-13-11-15(26-2)3-4-16(13)20(25)17-12-19(14-5-8-22-9-6-14)27-21(17)18-7-10-23-24-18;1-13-3-2-4-15(11-13)19(24)16-12-18(14-5-8-21-9-6-14)25-20(16)17-7-10-22-23-17/h4-11,14,19,23H,12-13H2,1-3H3,(H,27,30,34)(H,28,29,31);4-13,20H,1-3H3,(H,25,26);3-6,8-12,20,25H,7H2,1-2H3;2-6,8-12,19,24H,7H2,1H3.

What are the key properties of 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?

1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol has a molecular weight of 1641.92 g/mol, XLogP of 19.12, 21 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is sourced from PubChem (CID 157483872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).