2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C16H25N3O5S — CID 124783213

IUPAC2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCS(=O)(=O)CC(=O)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C16H25N3O5S/c1-25(21,22)11-16(20)18-7-14-6-17-12-19(14)15(8-18)10-24-9-13-2-4-23-5-3-13/h6,12-13,15H,2-5,7-11H2,1H3/t15-/m1/s1
InChIKeyMVCUJMQOUPOMBV-OAHLLOKOSA-N
MW371.46 g/mol
LogP0.25
Rot. Bonds6

About 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 124783213) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID124783213
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCS(=O)(=O)CC(=O)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C16H25N3O5S/c1-25(21,22)11-16(20)18-7-14-6-17-12-19(14)15(8-18)10-24-9-13-2-4-23-5-3-13/h6,12-13,15H,2-5,7-11H2,1H3/t15-/m1/s1
InChIKeyMVCUJMQOUPOMBV-OAHLLOKOSA-N
XLogP0.25
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803
1-[6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 131648184
7-[(2-methoxyphenyl)methyl]-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643028
[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368207
2-[[(5R)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124782862
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
2-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155845905

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 124783213) is 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CS(=O)(=O)CC(=O)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1.
What is the InChIKey of 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is MVCUJMQOUPOMBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-25(21,22)11-16(20)18-7-14-6-17-12-19(14)15(8-18)10-24-9-13-2-4-23-5-3-13/h6,12-13,15H,2-5,7-11H2,1H3/t15-/m1/s1.
What are the key properties of 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 371.46 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 124783213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).