2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine

C14H13N3O2S — CID 14116989

IUPAC2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1cc(S(C)=O)ccc1-c1cn2ccncc2n1
InChIInChI=1S/C14H13N3O2S/c1-19-13-7-10(20(2)18)3-4-11(13)12-9-17-6-5-15-8-14(17)16-12/h3-9H,1-2H3
InChIKeyCXWQTCGUKRMZOM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine

2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 14116989) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine
PubChem CID14116989
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1cc(S(C)=O)ccc1-c1cn2ccncc2n1
InChIInChI=1S/C14H13N3O2S/c1-19-13-7-10(20(2)18)3-4-11(13)12-9-17-6-5-15-8-14(17)16-12/h3-9H,1-2H3
InChIKeyCXWQTCGUKRMZOM-UHFFFAOYSA-N
XLogP2.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine (CID 14116989) is 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine is COc1cc(S(C)=O)ccc1-c1cn2ccncc2n1.
What is the InChIKey of 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is CXWQTCGUKRMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-13-7-10(20(2)18)3-4-11(13)12-9-17-6-5-15-8-14(17)16-12/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine?
2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 287.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylsulfinylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 14116989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).