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

C24H26FN5O4 — CID 139402186

IUPAC2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCOc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1
InChIInChI=1S/C24H26FN5O4/c1-33-19-7-8-20(27-13-19)30(18-5-3-2-4-6-18)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-34-16-23(31)32/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,32)
InChIKeyKXNWMIDJGQLOGB-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.76
Rot. Bonds9

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

2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 139402186) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
PubChem CID139402186
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESCOc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1
InChIInChI=1S/C24H26FN5O4/c1-33-19-7-8-20(27-13-19)30(18-5-3-2-4-6-18)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-34-16-23(31)32/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,32)
InChIKeyKXNWMIDJGQLOGB-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-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (CID 139402186) is 2-[[4-fluoro-1-[6-(N-(5-methoxy-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-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is COc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1.
What is the InChIKey of 2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is KXNWMIDJGQLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-33-19-7-8-20(27-13-19)30(18-5-3-2-4-6-18)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-34-16-23(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-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)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-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 139402186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).