2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid

C17H21N3O4 — CID 167420014

IUPAC2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCCCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12
InChIInChI=1S/C17H21N3O4/c1-3-6-23-14-13-19-12(8-20(13)7-11(18-14)15(21)22)17-5-4-16(2,9-17)24-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,21,22)
InChIKeyOFGXCPNJUYYFAN-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.43
Rot. Bonds5

About 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid

2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 167420014) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID167420014
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCCCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12
InChIInChI=1S/C17H21N3O4/c1-3-6-23-14-13-19-12(8-20(13)7-11(18-14)15(21)22)17-5-4-16(2,9-17)24-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,21,22)
InChIKeyOFGXCPNJUYYFAN-UHFFFAOYSA-N
XLogP2.43
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.43
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
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
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
phenyl 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 155437092
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 154655808
2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 163213824
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
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
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
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155436898
phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 167420174
N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554883

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid (CID 167420014) is 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid is CCCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is OFGXCPNJUYYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-6-23-14-13-19-12(8-20(13)7-11(18-14)15(21)22)17-5-4-16(2,9-17)24-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid?
2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-8-propoxyimidazo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 167420014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).