7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H22N4O3S — CID 162790194

IUPAC7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2cccnc2)CC2CN(S(=O)(=O)Cc3ccccc3)CCN12
InChIInChI=1S/C19H22N4O3S/c24-19-21(12-17-7-4-8-20-11-17)13-18-14-22(9-10-23(18)19)27(25,26)15-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12-15H2
InChIKeyDEECOFHJCAGMCI-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.53
Rot. Bonds5

About 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 162790194) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID162790194
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2cccnc2)CC2CN(S(=O)(=O)Cc3ccccc3)CCN12
InChIInChI=1S/C19H22N4O3S/c24-19-21(12-17-7-4-8-20-11-17)13-18-14-22(9-10-23(18)19)27(25,26)15-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12-15H2
InChIKeyDEECOFHJCAGMCI-UHFFFAOYSA-N
XLogP1.53
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(8aR)-2-benzyl-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368585
(8aR)-2-cyclohexyl-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
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2-(pyridin-3-ylmethyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80732544
(3aR,6aR)-2-ethylsulfonyl-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 162790194) is 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2cccnc2)CC2CN(S(=O)(=O)Cc3ccccc3)CCN12.
What is the InChIKey of 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is DEECOFHJCAGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-19-21(12-17-7-4-8-20-11-17)13-18-14-22(9-10-23(18)19)27(25,26)15-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12-15H2.
What are the key properties of 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 386.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 162790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).