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

C16H21N3O3 — CID 118740883

IUPAC[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccoc1C)C2C
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
InChIKeyXUSDOYCNWMASDQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.54
Rot. Bonds4

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

[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 118740883) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
PubChem CID118740883
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccoc1C)C2C
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
InChIKeyXUSDOYCNWMASDQ-UHFFFAOYSA-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

1H-Imidazol-1-yl(2-methyl-3-furyl)methanone
CID 66563653
[2-(2-fluorophenyl)-6,7-dihydroimidazo[1,2-a]pyrimidin-8(5H)-yl](3-furyl)methanone
CID 53183366
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 53617304
(2-Methylfuran-3-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53624998
(2-Methylfuran-3-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56778628
(2,5-dimethylfuran-3-yl)(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 71805753
3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
(2,5-dimethylfuran-3-yl)(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264553
(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 97361090
[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
CID 97377528
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382191
[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
CID 97382192

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (CID 118740883) is [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 [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [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)C2C.
What is the InChIKey of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is XUSDOYCNWMASDQ-UHFFFAOYSA-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.
What are the key properties of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
[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 [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 118740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).