[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone

C20H25N3O3 — CID 124998053

IUPAC[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
SMILESCOc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)C1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-14-11-21-19-13-23(20(24)15-7-9-26-10-8-15)17(12-22(14)19)16-5-3-4-6-18(16)25-2/h3-6,11,15,17H,7-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyREWRVFQJJKAVBL-QGZVFWFLSA-N
MW355.44 g/mol
LogP2.71
Rot. Bonds3

About [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone

[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone (PubChem CID 124998053) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
PubChem CID124998053
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
SMILESCOc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)C1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-14-11-21-19-13-23(20(24)15-7-9-26-10-8-15)17(12-22(14)19)16-5-3-4-6-18(16)25-2/h3-6,11,15,17H,7-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyREWRVFQJJKAVBL-QGZVFWFLSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-piperidin-4-ylmethanone
CID 124946881
1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone
CID 110117544
(1,3-dimethylpyrazol-4-yl)-[(6R)-6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 125024898
(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 110117628
(4-methyl-1,3-oxazol-5-yl)-[(6R)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124953412
(3,5-dimethyl-1,2-oxazol-4-yl)-[(6R)-6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124973670
1-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(methylamino)ethanone
CID 110117698
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
4-(2-methoxyphenyl)oxane
CID 121009799
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone (CID 124998053) is [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone is COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)C1CCOCC1.
What is the InChIKey of [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone?
The InChIKey is REWRVFQJJKAVBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-11-21-19-13-23(20(24)15-7-9-26-10-8-15)17(12-22(14)19)16-5-3-4-6-18(16)25-2/h3-6,11,15,17H,7-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone?
[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 124998053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).