(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C16H21N3O3S — CID 124915536

IUPAC(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21
InChIInChI=1S/C16H21N3O3S/c1-22-11-15-10-18(9-14-7-17-12-19(14)15)8-13-3-5-16(6-4-13)23(2,20)21/h3-7,12,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyOMPLRJPTBVXJHS-OAHLLOKOSA-N
MW335.43 g/mol
LogP1.49
Rot. Bonds5

About (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 124915536) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID124915536
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21
InChIInChI=1S/C16H21N3O3S/c1-22-11-15-10-18(9-14-7-17-12-19(14)15)8-13-3-5-16(6-4-13)23(2,20)21/h3-7,12,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyOMPLRJPTBVXJHS-OAHLLOKOSA-N
XLogP1.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 124915536) is (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is COC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21.
What is the InChIKey of (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is OMPLRJPTBVXJHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-22-11-15-10-18(9-14-7-17-12-19(14)15)8-13-3-5-16(6-4-13)23(2,20)21/h3-7,12,15H,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 124915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).