2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

C69H71ClN10 — CID 123457433

About 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 123457433) has the molecular formula C69H71ClN10 and a molecular weight of 1075.85 g/mol. Its IUPAC name is 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

• Compound Name: 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
• PubChem CID: 123457433
• Molecular Formula: C69H71ClN10
• Molecular Weight: 1075.85 g/mol
• Exact Mass: 1074.56
• IUPAC Name: 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
• SMILES: Clc1ccc(CN2CCC(c3[nH]ncc3Cc3cccc(C4CC(c5[nH]ncc5Cc5ccccc5)CCN4Cc4ccc5ccccc5c4)c3)CC2c2cccc(Cc3cn[nH]c3C3CCN(Cc4ccccn4)CC3)c2)cc1
• InChI: InChI=1S/C69H71ClN10/c70-63-23-20-49(21-24-63)45-79-32-27-59(40-65(79)56-16-8-12-50(35-56)37-61-43-72-75-67(61)54-25-30-78(31-26-54)47-64-18-6-7-29-71-64)69-62(44-74-77-69)38-51-13-9-17-57(36-51)66-41-58(68-60(42-73-76-68)34-48-10-2-1-3-11-48)28-33-80(66)46-52-19-22-53-14-4-5-15-55(53)39-52/h1-24,29,35-36,39,42-44,54,58-59,65-66H,25-28,30-34,37-38,40-41,45-47H2,(H,72,75)(H,73,76)(H,74,77)
• InChIKey: UWRKGNMJOYMKBP-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 108.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.85
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?

The IUPAC name of 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (CID 123457433) is 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.

What is the SMILES notation for 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?

The canonical SMILES for 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is Clc1ccc(CN2CCC(c3[nH]ncc3Cc3cccc(C4CC(c5[nH]ncc5Cc5ccccc5)CCN4Cc4ccc5ccccc5c4)c3)CC2c2cccc(Cc3cn[nH]c3C3CCN(Cc4ccccn4)CC3)c2)cc1.

What is the InChIKey of 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?

The InChIKey is UWRKGNMJOYMKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H71ClN10/c70-63-23-20-49(21-24-63)45-79-32-27-59(40-65(79)56-16-8-12-50(35-56)37-61-43-72-75-67(61)54-25-30-78(31-26-54)47-64-18-6-7-29-71-64)69-62(44-74-77-69)38-51-13-9-17-57(36-51)66-41-58(68-60(42-73-76-68)34-48-10-2-1-3-11-48)28-33-80(66)46-52-19-22-53-14-4-5-15-55(53)39-52/h1-24,29,35-36,39,42-44,54,58-59,65-66H,25-28,30-34,37-38,40-41,45-47H2,(H,72,75)(H,73,76)(H,74,77).

What are the key properties of 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?

2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 1075.85 g/mol, XLogP of 14.45, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-[[3-[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-(naphthalen-2-ylmethyl)piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-1-[(4-chlorophenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 123457433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).