8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine

C20H17N3S — CID 165179033

IUPAC8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESCc1ccc(Sc2cnc(-c3cccc(C)c3)c3nccn23)cc1
InChIInChI=1S/C20H17N3S/c1-14-6-8-17(9-7-14)24-18-13-22-19(20-21-10-11-23(18)20)16-5-3-4-15(2)12-16/h3-13H,1-2H3
InChIKeyVFLIZCDENPZRFD-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.16
Rot. Bonds3

About 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine

8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine (PubChem CID 165179033) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine
PubChem CID165179033
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESCc1ccc(Sc2cnc(-c3cccc(C)c3)c3nccn23)cc1
InChIInChI=1S/C20H17N3S/c1-14-6-8-17(9-7-14)24-18-13-22-19(20-21-10-11-23(18)20)16-5-3-4-15(2)12-16/h3-13H,1-2H3
InChIKeyVFLIZCDENPZRFD-UHFFFAOYSA-N
XLogP5.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine (CID 165179033) is 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine is Cc1ccc(Sc2cnc(-c3cccc(C)c3)c3nccn23)cc1.
What is the InChIKey of 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine?
The InChIKey is VFLIZCDENPZRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14-6-8-17(9-7-14)24-18-13-22-19(20-21-10-11-23(18)20)16-5-3-4-15(2)12-16/h3-13H,1-2H3.
What are the key properties of 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine?
8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine has a molecular weight of 331.44 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenyl)-5-(4-methylphenyl)sulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 165179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).