N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide

C37H53FN8O5 — CID 176582507

About N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide

N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide (PubChem CID 176582507) has the molecular formula C37H53FN8O5 and a molecular weight of 708.88 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide
• PubChem CID: 176582507
• Molecular Formula: C37H53FN8O5
• Molecular Weight: 708.88 g/mol
• Exact Mass: 708.41
• IUPAC Name: N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide
• SMILES: O=CNC(C(=O)N1CCN(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(CC5=NNC(=O)CC5)ccc4F)CC3)CC2)CC1)C1CCCCC1
• InChI: InChI=1S/C37H53FN8O5/c38-32-8-6-28(22-30-7-9-33(48)41-40-30)23-31(32)36(50)45-20-18-44(19-21-45)34(49)25-42-12-10-27(11-13-42)24-43-14-16-46(17-15-43)37(51)35(39-26-47)29-4-2-1-3-5-29/h6,8,23,26-27,29,35H,1-5,7,9-22,24-25H2,(H,39,47)(H,41,48)
• InChIKey: RESCUUSSKQQWTK-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 137.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	708.88
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide?

The IUPAC name of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide (CID 176582507) is N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide.

What is the SMILES notation for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide?

The canonical SMILES for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide is O=CNC(C(=O)N1CCN(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(CC5=NNC(=O)CC5)ccc4F)CC3)CC2)CC1)C1CCCCC1.

What is the InChIKey of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide?

The InChIKey is RESCUUSSKQQWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53FN8O5/c38-32-8-6-28(22-30-7-9-33(48)41-40-30)23-31(32)36(50)45-20-18-44(19-21-45)34(49)25-42-12-10-27(11-13-42)24-43-14-16-46(17-15-43)37(51)35(39-26-47)29-4-2-1-3-5-29/h6,8,23,26-27,29,35H,1-5,7,9-22,24-25H2,(H,39,47)(H,41,48).

What are the key properties of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide?

N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide has a molecular weight of 708.88 g/mol, XLogP of 1.47, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]formamide is sourced from PubChem (CID 176582507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).