5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C74H82F6N14O14 — CID 118612300

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118612300) has the molecular formula C74H82F6N14O14 and a molecular weight of 1505.54 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 118612300
• Molecular Formula: C74H82F6N14O14
• Molecular Weight: 1505.54 g/mol
• Exact Mass: 1504.60
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCOCCOCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCOCCOCCNC(=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/C74H82F6N14O14/c1-51-61(65-19-23-89-93(65)57-15-11-53(49-81)12-16-57)47-63(69(97)91(51)59-9-5-7-55(45-59)73(75,76)77)67(95)83-25-29-101-33-37-105-41-43-107-39-35-103-31-27-87-71(99)85-21-3-4-22-86-72(100)88-28-32-104-36-40-108-44-42-106-38-34-102-30-26-84-68(96)64-48-62(66-20-24-90-94(66)58-17-13-54(50-82)14-18-58)52(2)92(70(64)98)60-10-6-8-56(46-60)74(78,79)80/h5-20,23-24,45-48H,3-4,21-22,25-44H2,1-2H3,(H,83,95)(H,84,96)(H2,85,87,99)(H2,86,88,100)
• InChIKey: ZCDZLTXHPYVRBG-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 341.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1505.54
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118612300) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCOCCOCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCOCCOCCNC(=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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is ZCDZLTXHPYVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H82F6N14O14/c1-51-61(65-19-23-89-93(65)57-15-11-53(49-81)12-16-57)47-63(69(97)91(51)59-9-5-7-55(45-59)73(75,76)77)67(95)83-25-29-101-33-37-105-41-43-107-39-35-103-31-27-87-71(99)85-21-3-4-22-86-72(100)88-28-32-104-36-40-108-44-42-106-38-34-102-30-26-84-68(96)64-48-62(66-20-24-90-94(66)58-17-13-54(50-82)14-18-58)52(2)92(70(64)98)60-10-6-8-56(46-60)74(78,79)80/h5-20,23-24,45-48H,3-4,21-22,25-44H2,1-2H3,(H,83,95)(H,84,96)(H2,85,87,99)(H2,86,88,100).

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 1505.54 g/mol, XLogP of 7.76, 43 rotatable bonds, 6 hydrogen bond donors, and 22 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-[4-[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]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118612300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).