2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one

C11H18N4O3S — CID 63024709

IUPAC2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)7-2-9(12)11(16)15-6-5-14-4-3-13-10(14)8-15/h3-4,9H,2,5-8,12H2,1H3
InChIKeyOCQZYKLHKXMUSX-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.01
Rot. Bonds4

About 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one

2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one (PubChem CID 63024709) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one
PubChem CID63024709
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)7-2-9(12)11(16)15-6-5-14-4-3-13-10(14)8-15/h3-4,9H,2,5-8,12H2,1H3
InChIKeyOCQZYKLHKXMUSX-UHFFFAOYSA-N
XLogP-1.01
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopentane-1-carboxamide
CID 72149797
2-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150044
2-cyclopentylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150054
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72150070
2-ethylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150097
4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383076
2-methylsulfanyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772032
2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772138
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 86774804
N~2~-acetyl-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-L-methioninamide
CID 90653187
[(4aR,7aS)-1-[(1-methylimidazol-2-yl)methyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-cyclobutylmethanone
CID 164643308

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one (CID 63024709) is 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one is CS(=O)(=O)CCC(N)C(=O)N1CCn2ccnc2C1.
What is the InChIKey of 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one?
The InChIKey is OCQZYKLHKXMUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)7-2-9(12)11(16)15-6-5-14-4-3-13-10(14)8-15/h3-4,9H,2,5-8,12H2,1H3.
What are the key properties of 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one?
2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one has a molecular weight of 286.36 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 63024709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).