2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

C24H26FN5O3 — CID 139401988

IUPAC2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1
InChIInChI=1S/C24H26FN5O3/c1-18-7-8-20(27-13-18)30(19-5-3-2-4-6-19)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-33-16-23(31)32/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,32)
InChIKeyFELFOTWMZQIYMM-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.06
Rot. Bonds8

About 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 139401988) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
PubChem CID139401988
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1
InChIInChI=1S/C24H26FN5O3/c1-18-7-8-20(27-13-18)30(19-5-3-2-4-6-19)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-33-16-23(31)32/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,32)
InChIKeyFELFOTWMZQIYMM-UHFFFAOYSA-N
XLogP4.06
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid with MolForge

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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
Sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethylamino]butoxy]acetate
CID 44437035
2-[4-[Cyclopropyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetic acid
CID 44437038
Sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetate
CID 44437043
Sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-methylamino]butoxy]acetate
CID 44437081
2-[4-[(4,5-Diphenyl-2-pyridinyl)-methylamino]butoxy]acetic acid
CID 44434440
2-[4-[Benzyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetic acid
CID 44437044
Ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate
CID 56806801
1-[8-(3-Fluoro-phenyl)-[1,7]naphthyridin-6-yl]-piperidine-4-carboxylic acid ethyl ester
CID 10385049
Selexipag Impurity 63
CID 18452607

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (CID 139401988) is 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is Cc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1.
What is the InChIKey of 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is FELFOTWMZQIYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-18-7-8-20(27-13-18)30(19-5-3-2-4-6-19)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-33-16-23(31)32/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,32).
What are the key properties of 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid has a molecular weight of 451.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-1-[6-(N-(5-methyl-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 139401988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).