2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

C24H25FN4O3 — CID 139401927

IUPAC2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C24H25FN4O3/c25-19-6-8-21(9-7-19)29(20-4-2-1-3-5-20)23-15-26-14-22(27-23)28-12-10-18(11-13-28)16-32-17-24(30)31/h1-9,14-15,18H,10-13,16-17H2,(H,30,31)
InChIKeyUPUYYPZMPVRLKG-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.40
Rot. Bonds8

About 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 139401927) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
PubChem CID139401927
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C24H25FN4O3/c25-19-6-8-21(9-7-19)29(20-4-2-1-3-5-20)23-15-26-14-22(27-23)28-12-10-18(11-13-28)16-32-17-24(30)31/h1-9,14-15,18H,10-13,16-17H2,(H,30,31)
InChIKeyUPUYYPZMPVRLKG-UHFFFAOYSA-N
XLogP4.40
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid
CID 9931891
2-[4-[(5,6-Diphenylpyrazin-2-yl)-methylamino]butoxy]acetic acid
CID 10222052
2-[4-[(5,6-Diphenylpyrazin-2-yl)-prop-2-enylamino]butoxy]acetic acid
CID 18452649
2-[[4-[[(3-Fluorophenyl)-pyrazin-2-ylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 44233279
2-[[4-[[Phenyl(pyrazin-2-yl)carbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 44233523
2-[4-[Benzyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetic acid
CID 44437044
Selexipag Impurity 63
CID 18452607
2-[4-[[5,6-Bis(4-fluorophenyl)pyrazin-2-yl]-methylamino]butoxy]acetic acid
CID 18452641
2-[[1-[[(3-Fluorophenyl)-pyrazin-2-ylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 89755922
2-[[3-[[(3-Fluorophenyl)-pyrazin-2-ylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 90401834
2-[[1-[6-(N-(5-chloro-2-pyridinyl)anilino)pyrazin-2-yl]-4-fluoropiperidin-4-yl]methoxy]acetic acid
CID 139401932
tert-butyl 2-[[1-[6-(N-(3,4-difluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate
CID 139401933

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (CID 139401927) is 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is O=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is UPUYYPZMPVRLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-19-6-8-21(9-7-19)29(20-4-2-1-3-5-20)23-15-26-14-22(27-23)28-12-10-18(11-13-28)16-32-17-24(30)31/h1-9,14-15,18H,10-13,16-17H2,(H,30,31).
What are the key properties of 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid has a molecular weight of 436.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 139401927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).