2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

C24H26FN5O4 — CID 139401992

IUPAC2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCOc1ccc(N(c2ccccn2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)cc1
InChIInChI=1S/C24H26FN5O4/c1-33-19-7-5-18(6-8-19)30(20-4-2-3-11-27-20)22-15-26-14-21(28-22)29-12-9-24(25,10-13-29)17-34-16-23(31)32/h2-8,11,14-15H,9-10,12-13,16-17H2,1H3,(H,31,32)
InChIKeyWEMJVFVRFMXUEY-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.76
Rot. Bonds9

About 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 139401992) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
PubChem CID139401992
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCOc1ccc(N(c2ccccn2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)cc1
InChIInChI=1S/C24H26FN5O4/c1-33-19-7-5-18(6-8-19)30(20-4-2-3-11-27-20)22-15-26-14-21(28-22)29-12-9-24(25,10-13-29)17-34-16-23(31)32/h2-8,11,14-15H,9-10,12-13,16-17H2,1H3,(H,31,32)
InChIKeyWEMJVFVRFMXUEY-UHFFFAOYSA-N
XLogP3.76
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (CID 139401992) is 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is COc1ccc(N(c2ccccn2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)cc1.
What is the InChIKey of 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is WEMJVFVRFMXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-33-19-7-5-18(6-8-19)30(20-4-2-3-11-27-20)22-15-26-14-21(28-22)29-12-9-24(25,10-13-29)17-34-16-23(31)32/h2-8,11,14-15H,9-10,12-13,16-17H2,1H3,(H,31,32).
What are the key properties of 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid has a molecular weight of 467.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-1-[6-(4-methoxy-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 139401992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).