2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone

C21H22N4O4 — CID 165097888

IUPAC2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cn2cc(C34COC(C)(C3)C4)nc2c(OC)n1
InChIInChI=1S/C21H22N4O4/c1-20-10-21(11-20,12-29-20)16-9-25-8-13(23-19(28-3)17(25)24-16)7-15(26)14-5-4-6-22-18(14)27-2/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyXUXFRNARRODHPL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.39
Rot. Bonds6

About 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone

2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 165097888) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID165097888
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cn2cc(C34COC(C)(C3)C4)nc2c(OC)n1
InChIInChI=1S/C21H22N4O4/c1-20-10-21(11-20,12-29-20)16-9-25-8-13(23-19(28-3)17(25)24-16)7-15(26)14-5-4-6-22-18(14)27-2/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyXUXFRNARRODHPL-UHFFFAOYSA-N
XLogP2.39
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 165054044
2-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone
CID 165109738
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437215
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437266
N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide
CID 154655502
8-ethoxy-N-(2-methoxy-3-pyridinyl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437199
7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167420134
2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide
CID 154655803
phenyl 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 155437092
N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154998305
1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone
CID 165052009
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655437

Frequently Asked Questions

What is the IUPAC name of 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone (CID 165097888) is 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1cn2cc(C34COC(C)(C3)C4)nc2c(OC)n1.
What is the InChIKey of 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is XUXFRNARRODHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-20-10-21(11-20,12-29-20)16-9-25-8-13(23-19(28-3)17(25)24-16)7-15(26)14-5-4-6-22-18(14)27-2/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone?
2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone has a molecular weight of 394.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 165097888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).