5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C62H56F6N12O9 — CID 144985763

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 144985763) has the molecular formula C62H56F6N12O9 and a molecular weight of 1227.19 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 144985763
• Molecular Formula: C62H56F6N12O9
• Molecular Weight: 1227.19 g/mol
• Exact Mass: 1226.42
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCOCCOCC/N=C/C(=O)NCCOCCOCCNC(=O)c2cc(-c3ccnn3-c3ccc(C#N)cc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C62H56F6N12O9/c1-40-50(54-17-19-75-79(54)46-13-9-42(37-69)10-14-46)35-52(59(84)77(40)48-7-3-5-44(33-48)61(63,64)65)57(82)73-23-27-88-30-29-86-25-21-71-39-56(81)72-22-26-87-31-32-89-28-24-74-58(83)53-36-51(55-18-20-76-80(55)47-15-11-43(38-70)12-16-47)41(2)78(60(53)85)49-8-4-6-45(34-49)62(66,67)68/h3-20,33-36,39H,21-32H2,1-2H3,(H,72,81)(H,73,82)(H,74,83)/b71-39+
• InChIKey: PQBCDDXKYCRTMM-FCTBLDKFSA-N
• XLogP: 7.50
• TPSA: 263.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1227.19
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 144985763) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCOCCOCC/N=C/C(=O)NCCOCCOCCNC(=O)c2cc(-c3ccnn3-c3ccc(C#N)cc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is PQBCDDXKYCRTMM-FCTBLDKFSA-N. The full InChI is InChI=1S/C62H56F6N12O9/c1-40-50(54-17-19-75-79(54)46-13-9-42(37-69)10-14-46)35-52(59(84)77(40)48-7-3-5-44(33-48)61(63,64)65)57(82)73-23-27-88-30-29-86-25-21-71-39-56(81)72-22-26-87-31-32-89-28-24-74-58(83)53-36-51(55-18-20-76-80(55)47-15-11-43(38-70)12-16-47)41(2)78(60(53)85)49-8-4-6-45(34-49)62(66,67)68/h3-20,33-36,39H,21-32H2,1-2H3,(H,72,81)(H,73,82)(H,74,83)/b71-39+.

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 1227.19 g/mol, XLogP of 7.50, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethylimino]acetyl]amino]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 144985763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).