8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid

C15H15F2N3O4 — CID 167420127

IUPAC8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCC12CC(c3cn4cc(C(=O)O)nc(OCC(F)F)c4n3)(CO1)C2
InChIInChI=1S/C15H15F2N3O4/c1-14-5-15(6-14,7-24-14)9-3-20-2-8(13(21)22)18-12(11(20)19-9)23-4-10(16)17/h2-3,10H,4-7H2,1H3,(H,21,22)
InChIKeyPRWJSARMILIIRG-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.89
Rot. Bonds5

About 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid

8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 167420127) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID167420127
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCC12CC(c3cn4cc(C(=O)O)nc(OCC(F)F)c4n3)(CO1)C2
InChIInChI=1S/C15H15F2N3O4/c1-14-5-15(6-14,7-24-14)9-3-20-2-8(13(21)22)18-12(11(20)19-9)23-4-10(16)17/h2-3,10H,4-7H2,1H3,(H,21,22)
InChIKeyPRWJSARMILIIRG-UHFFFAOYSA-N
XLogP1.89
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
CID 155437419
2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid
CID 167420014
phenyl 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 155437092
N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437004
6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998121
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-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-amine
CID 155010315
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155436898
8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
CID 155010266
N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655465
6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
CID 154655651
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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid (CID 167420127) is 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid is CC12CC(c3cn4cc(C(=O)O)nc(OCC(F)F)c4n3)(CO1)C2.
What is the InChIKey of 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is PRWJSARMILIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-14-5-15(6-14,7-24-14)9-3-20-2-8(13(21)22)18-12(11(20)19-9)23-4-10(16)17/h2-3,10H,4-7H2,1H3,(H,21,22).
What are the key properties of 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?
8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 339.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 167420127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).