2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine

C26H26FN5O — CID 58959719

IUPAC2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine
SMILESCc1ccc(Oc2cncc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c(C)c1
InChIInChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)13-17)33-24-15-29-14-22(31-24)26-25(19-4-6-20(27)7-5-19)30-16-32(26)21-9-11-28-12-10-21/h3-8,13-16,21,28H,9-12H2,1-2H3
InChIKeyYWGYSKQVIVSHMK-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.48
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine

2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine (PubChem CID 58959719) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine
PubChem CID58959719
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine
SMILESCc1ccc(Oc2cncc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c(C)c1
InChIInChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)13-17)33-24-15-29-14-22(31-24)26-25(19-4-6-20(27)7-5-19)30-16-32(26)21-9-11-28-12-10-21/h3-8,13-16,21,28H,9-12H2,1-2H3
InChIKeyYWGYSKQVIVSHMK-UHFFFAOYSA-N
XLogP5.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine (CID 58959719) is 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine is Cc1ccc(Oc2cncc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine?
The InChIKey is YWGYSKQVIVSHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)13-17)33-24-15-29-14-22(31-24)26-25(19-4-6-20(27)7-5-19)30-16-32(26)21-9-11-28-12-10-21/h3-8,13-16,21,28H,9-12H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine?
2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine has a molecular weight of 443.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrazine is sourced from PubChem (CID 58959719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).