[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C20H17N3OS — CID 155510538

IUPAC[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCSc1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1
InChIInChI=1S/C20H17N3OS/c1-25-17-8-6-15(7-9-17)18-12-23-19(10-22-20(23)11-21-18)16-4-2-14(13-24)3-5-16/h2-12,24H,13H2,1H3
InChIKeyOKNODCLJKSRICR-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.28
Rot. Bonds4

About [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 155510538) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID155510538
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCSc1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1
InChIInChI=1S/C20H17N3OS/c1-25-17-8-6-15(7-9-17)18-12-23-19(10-22-20(23)11-21-18)16-4-2-14(13-24)3-5-16/h2-12,24H,13H2,1H3
InChIKeyOKNODCLJKSRICR-UHFFFAOYSA-N
XLogP4.28
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 155510538) is [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is CSc1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1.
What is the InChIKey of [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is OKNODCLJKSRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-25-17-8-6-15(7-9-17)18-12-23-19(10-22-20(23)11-21-18)16-4-2-14(13-24)3-5-16/h2-12,24H,13H2,1H3.
What are the key properties of [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 347.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 155510538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).