6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid

C24H23FN2O3 — CID 142815798

IUPAC6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(F)cc2)c(C2CCCC2c2cncc(C(=O)O)n2)c1
InChIInChI=1S/C24H23FN2O3/c1-15-5-10-23(30-14-16-6-8-17(25)9-7-16)20(11-15)18-3-2-4-19(18)21-12-26-13-22(27-21)24(28)29/h5-13,18-19H,2-4,14H2,1H3,(H,28,29)
InChIKeySURGHHPGWQSKQO-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.25
Rot. Bonds6

About 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid

6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid (PubChem CID 142815798) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid
PubChem CID142815798
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(F)cc2)c(C2CCCC2c2cncc(C(=O)O)n2)c1
InChIInChI=1S/C24H23FN2O3/c1-15-5-10-23(30-14-16-6-8-17(25)9-7-16)20(11-15)18-3-2-4-19(18)21-12-26-13-22(27-21)24(28)29/h5-13,18-19H,2-4,14H2,1H3,(H,28,29)
InChIKeySURGHHPGWQSKQO-UHFFFAOYSA-N
XLogP5.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid (CID 142815798) is 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid is Cc1ccc(OCc2ccc(F)cc2)c(C2CCCC2c2cncc(C(=O)O)n2)c1.
What is the InChIKey of 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid?
The InChIKey is SURGHHPGWQSKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15-5-10-23(30-14-16-6-8-17(25)9-7-16)20(11-15)18-3-2-4-19(18)21-12-26-13-22(27-21)24(28)29/h5-13,18-19H,2-4,14H2,1H3,(H,28,29).
What are the key properties of 6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid?
6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid has a molecular weight of 406.46 g/mol, XLogP of 5.25, 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-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 142815798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).