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

C20H25N3O2 — CID 110117544

IUPAC1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone
SMILESCc1cnc2n1CC(c1ccccc1)N(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C20H25N3O2/c1-15-12-21-19-14-23(20(24)11-16-7-9-25-10-8-16)18(13-22(15)19)17-5-3-2-4-6-17/h2-6,12,16,18H,7-11,13-14H2,1H3
InChIKeyMSVKQCWPBVRVCH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds3

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

1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone (PubChem CID 110117544) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone
PubChem CID110117544
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone
SMILESCc1cnc2n1CC(c1ccccc1)N(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C20H25N3O2/c1-15-12-21-19-14-23(20(24)11-16-7-9-25-10-8-16)18(13-22(15)19)17-5-3-2-4-6-17/h2-6,12,16,18H,7-11,13-14H2,1H3
InChIKeyMSVKQCWPBVRVCH-UHFFFAOYSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124965111
1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one
CID 110117668
(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
[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124959844
[(6S)-6-(2-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
CID 124998053
3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117585
3-methyl-6-phenyl-7-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117576
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
1-[(2R,3aR,4R,5S,8aR)-4,5-dihydroxy-3a-methyl-2-phenyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]-2-(oxan-4-yl)ethanone
CID 110153677
1-[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-methyl-2-phenyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]-2-(oxan-4-yl)ethanone
CID 110153679
[6-(3-methoxyphenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110117559
4-[(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 110117500

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone (CID 110117544) is 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone is Cc1cnc2n1CC(c1ccccc1)N(C(=O)CC1CCOCC1)C2.
What is the InChIKey of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is MSVKQCWPBVRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-21-19-14-23(20(24)11-16-7-9-25-10-8-16)18(13-22(15)19)17-5-3-2-4-6-17/h2-6,12,16,18H,7-11,13-14H2,1H3.
What are the key properties of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone?
1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 110117544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).