3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine

C21H20N4 — CID 155553853

IUPAC3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(-c2cnc3cnc(-c4ccncc4)cn23)cc1
InChIInChI=1S/C21H20N4/c1-21(2,3)17-6-4-16(5-7-17)19-12-24-20-13-23-18(14-25(19)20)15-8-10-22-11-9-15/h4-14H,1-3H3
InChIKeyTXIKOSCQYMKOAO-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.76
Rot. Bonds2

About 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine

3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine (PubChem CID 155553853) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
PubChem CID155553853
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(-c2cnc3cnc(-c4ccncc4)cn23)cc1
InChIInChI=1S/C21H20N4/c1-21(2,3)17-6-4-16(5-7-17)19-12-24-20-13-23-18(14-25(19)20)15-8-10-22-11-9-15/h4-14H,1-3H3
InChIKeyTXIKOSCQYMKOAO-UHFFFAOYSA-N
XLogP4.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine (CID 155553853) is 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine is CC(C)(C)c1ccc(-c2cnc3cnc(-c4ccncc4)cn23)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The InChIKey is TXIKOSCQYMKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-21(2,3)17-6-4-16(5-7-17)19-12-24-20-13-23-18(14-25(19)20)15-8-10-22-11-9-15/h4-14H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine has a molecular weight of 328.42 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155553853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).