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

C11H18N4O4S — CID 131655359

IUPAC2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide
SMILESCOCC(=O)NCC1CN(S(C)(=O)=O)Cc2cncn21
InChIInChI=1S/C11H18N4O4S/c1-19-7-11(16)13-4-10-6-14(20(2,17)18)5-9-3-12-8-15(9)10/h3,8,10H,4-7H2,1-2H3,(H,13,16)
InChIKeyWNVDTOHCCNEPHM-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.04
Rot. Bonds5

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

2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide (PubChem CID 131655359) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide
PubChem CID131655359
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide
SMILESCOCC(=O)NCC1CN(S(C)(=O)=O)Cc2cncn21
InChIInChI=1S/C11H18N4O4S/c1-19-7-11(16)13-4-10-6-14(20(2,17)18)5-9-3-12-8-15(9)10/h3,8,10H,4-7H2,1-2H3,(H,13,16)
InChIKeyWNVDTOHCCNEPHM-UHFFFAOYSA-N
XLogP-1.04
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124809114
2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124802447
2-[[(5R)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124782862
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 131655126
2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
CID 124782001
N-[[7-(cyclopentene-1-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131639258
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131646145
2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97487224
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124915536
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
N-[[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131649607

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide (CID 131655359) is 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide is COCC(=O)NCC1CN(S(C)(=O)=O)Cc2cncn21.
What is the InChIKey of 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide?
The InChIKey is WNVDTOHCCNEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-19-7-11(16)13-4-10-6-14(20(2,17)18)5-9-3-12-8-15(9)10/h3,8,10H,4-7H2,1-2H3,(H,13,16).
What are the key properties of 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide?
2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide has a molecular weight of 302.36 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide is sourced from PubChem (CID 131655359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).