N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

C13H22N4O4S — CID 124783447

IUPACN-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cn2c(n1)[C@H](C)N(S(C)(=O)=O)CC2
InChIInChI=1S/C13H22N4O4S/c1-10-13-15-11(8-12(18)14-4-7-21-2)9-16(13)5-6-17(10)22(3,19)20/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m0/s1
InChIKeyPNBYFVKTWRAOOR-JTQLQIEISA-N
MW330.41 g/mol
LogP-0.48
Rot. Bonds6

About N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 124783447) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID124783447
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cn2c(n1)[C@H](C)N(S(C)(=O)=O)CC2
InChIInChI=1S/C13H22N4O4S/c1-10-13-15-11(8-12(18)14-4-7-21-2)9-16(13)5-6-17(10)22(3,19)20/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m0/s1
InChIKeyPNBYFVKTWRAOOR-JTQLQIEISA-N
XLogP-0.48
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 124910371
2-[7-(2-methoxyacetyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 131695258
2-[(8R)-7-(furan-3-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 124790256
N-(2-methoxyethyl)-2-[(8R)-8-methyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 124811936
N-(2-methoxyethyl)-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 131647888
N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155859412
8-methyl-7-methylsulfonyl-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131655886
N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862396
N-(2-methoxyethyl)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131662656
2-(7-cyclopentyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N-cyclopropylacetamide
CID 131658212
2-(7-cyclopentyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 131663450
2-(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 133140587

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (CID 124783447) is N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(S(C)(=O)=O)CC2.
What is the InChIKey of N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is PNBYFVKTWRAOOR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10-13-15-11(8-12(18)14-4-7-21-2)9-16(13)5-6-17(10)22(3,19)20/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 124783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).