(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H17N3O3S — CID 124971840

IUPAC(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1cccc([C@H]2Cn3ccnc3CN2S(C)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-5-3-4-11(8-12)13-9-16-7-6-15-14(16)10-17(13)21(2,18)19/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyJZDZYMORXVFVFZ-CYBMUJFWSA-N
MW307.38 g/mol
LogP1.41
Rot. Bonds3

About (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 124971840) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID124971840
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1cccc([C@H]2Cn3ccnc3CN2S(C)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-5-3-4-11(8-12)13-9-16-7-6-15-14(16)10-17(13)21(2,18)19/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyJZDZYMORXVFVFZ-CYBMUJFWSA-N
XLogP1.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
CID 124987765
[6-(3-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 110117503
(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 125022271
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
2-methoxy-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124973448
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481403
6-(ethoxymethyl)-8-[(3-methoxyphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 155876668
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124958136
4-[[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 124948908

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 124971840) is (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1cccc([C@H]2Cn3ccnc3CN2S(C)(=O)=O)c1.
What is the InChIKey of (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is JZDZYMORXVFVFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-5-3-4-11(8-12)13-9-16-7-6-15-14(16)10-17(13)21(2,18)19/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 307.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-methoxyphenyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 124971840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).