5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline

C13H16N4O3S — CID 63014254

IUPAC5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCn3ccnc3C2)cc1N
InChIInChI=1S/C13H16N4O3S/c1-20-12-3-2-10(8-11(12)14)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9,14H2,1H3
InChIKeyHWGJFKPGMGLPRJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.68
Rot. Bonds3

About 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline (PubChem CID 63014254) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
PubChem CID63014254
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCn3ccnc3C2)cc1N
InChIInChI=1S/C13H16N4O3S/c1-20-12-3-2-10(8-11(12)14)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9,14H2,1H3
InChIKeyHWGJFKPGMGLPRJ-UHFFFAOYSA-N
XLogP0.68
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)pyridin-2-amine
CID 63020721
7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110712742
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
CID 107090764
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63013184
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63021232
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
[1-(3-amino-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623894
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 63014472

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline (CID 63014254) is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline is COc1ccc(S(=O)(=O)N2CCn3ccnc3C2)cc1N.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline?
The InChIKey is HWGJFKPGMGLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-20-12-3-2-10(8-11(12)14)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9,14H2,1H3.
What are the key properties of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline?
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline has a molecular weight of 308.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline is sourced from PubChem (CID 63014254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).