N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine

C20H16N4O2S — CID 7299199

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H16N4O2S/c1-27-15-5-2-13(3-6-15)19-20(24-9-8-21-11-18(24)23-19)22-14-4-7-16-17(10-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeySGIBNZUHFWIYBS-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.59
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine

N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 7299199) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID7299199
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H16N4O2S/c1-27-15-5-2-13(3-6-15)19-20(24-9-8-21-11-18(24)23-19)22-14-4-7-16-17(10-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeySGIBNZUHFWIYBS-UHFFFAOYSA-N
XLogP4.59
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 7299199) is N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine is CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is SGIBNZUHFWIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-27-15-5-2-13(3-6-15)19-20(24-9-8-21-11-18(24)23-19)22-14-4-7-16-17(10-14)26-12-25-16/h2-11,22H,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine?
N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 376.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 7299199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).