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

C16H21N3O3 — CID 97421886

IUPAC[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C
InChIInChI=1S/C16H21N3O3/c1-4-21-10-13-9-17-15-11(2)18(6-7-19(13)15)16(20)14-5-8-22-12(14)3/h5,8-9,11H,4,6-7,10H2,1-3H3/t11-/m0/s1
InChIKeyXUSDOYCNWMASDQ-NSHDSACASA-N
MW303.36 g/mol
LogP2.54
Rot. Bonds4

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

[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97421886) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97421886
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C
InChIInChI=1S/C16H21N3O3/c1-4-21-10-13-9-17-15-11(2)18(6-7-19(13)15)16(20)14-5-8-22-12(14)3/h5,8-9,11H,4,6-7,10H2,1-3H3/t11-/m0/s1
InChIKeyXUSDOYCNWMASDQ-NSHDSACASA-N
XLogP2.54
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474179
(2-methylfuran-3-yl)-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849378
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421931
furan-2-yl-[(8R)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422025
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131694496
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 131644098
[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97421871
(8R)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97421813
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone
CID 131694989

Frequently Asked Questions

What is the IUPAC name of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (CID 97421886) is [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone is CCOCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C.
What is the InChIKey of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is XUSDOYCNWMASDQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-21-10-13-9-17-15-11(2)18(6-7-19(13)15)16(20)14-5-8-22-12(14)3/h5,8-9,11H,4,6-7,10H2,1-3H3/t11-/m0/s1.
What are the key properties of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 303.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97421886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).