6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid

C24H18ClF3N2O3 — CID 11420125

About 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid

6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid (PubChem CID 11420125) has the molecular formula C24H18ClF3N2O3 and a molecular weight of 474.87 g/mol. Its IUPAC name is 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid
• PubChem CID: 11420125
• Molecular Formula: C24H18ClF3N2O3
• Molecular Weight: 474.87 g/mol
• Exact Mass: 474.10
• IUPAC Name: 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid
• SMILES: O=C(O)c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(Cl)cc3)CCC2)n1
• InChI: InChI=1S/C24H18ClF3N2O3/c25-16-7-4-14(5-8-16)13-33-22-9-6-15(24(26,27)28)10-19(22)17-2-1-3-18(17)20-11-29-12-21(30-20)23(31)32/h4-12H,1-3,13H2,(H,31,32)
• InChIKey: SCDBCMCZXHMQRA-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 72.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.87
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid?

The IUPAC name of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid (CID 11420125) is 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid.

What is the SMILES notation for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid?

The canonical SMILES for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(Cl)cc3)CCC2)n1.

What is the InChIKey of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid?

The InChIKey is SCDBCMCZXHMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O3/c25-16-7-4-14(5-8-16)13-33-22-9-6-15(24(26,27)28)10-19(22)17-2-1-3-18(17)20-11-29-12-21(30-20)23(31)32/h4-12H,1-3,13H2,(H,31,32).

What are the key properties of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid?

6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 474.87 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 11420125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).