(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H18N4O3S — CID 97421796

IUPAC(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@H]2C
InChIInChI=1S/C14H18N4O3S/c1-11-14-16-8-12(10-21-2)17(14)6-7-18(11)22(19,20)13-4-3-5-15-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyLSVGIBWLWXIAFX-NSHDSACASA-N
MW322.39 g/mol
LogP1.19
Rot. Bonds4

About (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97421796) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97421796
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@H]2C
InChIInChI=1S/C14H18N4O3S/c1-11-14-16-8-12(10-21-2)17(14)6-7-18(11)22(19,20)13-4-3-5-15-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyLSVGIBWLWXIAFX-NSHDSACASA-N
XLogP1.19
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131695752
(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422078
N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862396
(8R)-8-methyl-3-(pyridin-3-yloxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 97475194
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131695597
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
cyclohexen-1-yl-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743846
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490

Frequently Asked Questions

What is the IUPAC name of (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97421796) is (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@H]2C.
What is the InChIKey of (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is LSVGIBWLWXIAFX-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11-14-16-8-12(10-21-2)17(14)6-7-18(11)22(19,20)13-4-3-5-15-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 322.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97421796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).