2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C63H71ClN12S — CID 161036668

About 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 161036668) has the molecular formula C63H71ClN12S and a molecular weight of 1063.87 g/mol. Its IUPAC name is 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
• PubChem CID: 161036668
• Molecular Formula: C63H71ClN12S
• Molecular Weight: 1063.87 g/mol
• Exact Mass: 1062.53
• IUPAC Name: 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
• SMILES: Clc1ccc(Cc2nc(CN3CCN(Cc4ccccn4)CC3)cs2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccccn3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3cccnc3)CC2)cc1
• InChI: InChI=1S/C21H23ClN4S.2C21H24N4/c22-18-6-4-17(5-7-18)13-21-24-20(16-27-21)15-26-11-9-25(10-12-26)14-19-3-1-2-8-23-19;1-2-6-17(7-3-1)14-19-15-23-24-21(19)18-9-12-25(13-10-18)16-20-8-4-5-11-22-20;1-2-5-17(6-3-1)13-20-15-23-24-21(20)19-8-11-25(12-9-19)16-18-7-4-10-22-14-18/h1-8,16H,9-15H2;1-8,11,15,18H,9-10,12-14,16H2,(H,23,24);1-7,10,14-15,19H,8-9,11-13,16H2,(H,23,24)
• InChIKey: UAIMEZNAXKTAHU-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 121.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.87
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?

The IUPAC name of 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 161036668) is 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

What is the SMILES notation for 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?

The canonical SMILES for 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is Clc1ccc(Cc2nc(CN3CCN(Cc4ccccn4)CC3)cs2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccccn3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3cccnc3)CC2)cc1.

What is the InChIKey of 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?

The InChIKey is UAIMEZNAXKTAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4S.2C21H24N4/c22-18-6-4-17(5-7-18)13-21-24-20(16-27-21)15-26-11-9-25(10-12-26)14-19-3-1-2-8-23-19;1-2-6-17(7-3-1)14-19-15-23-24-21(19)18-9-12-25(13-10-18)16-20-8-4-5-11-22-20;1-2-5-17(6-3-1)13-20-15-23-24-21(20)19-8-11-25(12-9-19)16-18-7-4-10-22-14-18/h1-8,16H,9-15H2;1-8,11,15,18H,9-10,12-14,16H2,(H,23,24);1-7,10,14-15,19H,8-9,11-13,16H2,(H,23,24).

What are the key properties of 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?

2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 1063.87 g/mol, XLogP of 11.65, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;3-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine;2-[(4-chlorophenyl)methyl]-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 161036668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).