2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid

C26H23N3O3 — CID 18452638

IUPAC2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid
SMILESCN(Cc1cccc(OCC(=O)O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C26H23N3O3/c1-29(17-19-9-8-14-22(15-19)32-18-24(30)31)23-16-27-25(20-10-4-2-5-11-20)26(28-23)21-12-6-3-7-13-21/h2-16H,17-18H2,1H3,(H,30,31)
InChIKeyFOBVTPVTDUHSLZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.91
Rot. Bonds8

About 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid

2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid (PubChem CID 18452638) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid
PubChem CID18452638
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid
SMILESCN(Cc1cccc(OCC(=O)O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C26H23N3O3/c1-29(17-19-9-8-14-22(15-19)32-18-24(30)31)23-16-27-25(20-10-4-2-5-11-20)26(28-23)21-12-6-3-7-13-21/h2-16H,17-18H2,1H3,(H,30,31)
InChIKeyFOBVTPVTDUHSLZ-UHFFFAOYSA-N
XLogP4.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid (CID 18452638) is 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid is CN(Cc1cccc(OCC(=O)O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid?
The InChIKey is FOBVTPVTDUHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-29(17-19-9-8-14-22(15-19)32-18-24(30)31)23-16-27-25(20-10-4-2-5-11-20)26(28-23)21-12-6-3-7-13-21/h2-16H,17-18H2,1H3,(H,30,31).
What are the key properties of 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid?
2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid has a molecular weight of 425.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5,6-diphenylpyrazin-2-yl)-methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 18452638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).