3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

C13H12N2O5 — CID 117247620

IUPAC3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)n2c1CCCC2C(=O)O
InChIInChI=1S/C13H12N2O5/c16-12(17)8-4-1-3-7-10(13(18)19)14-11(15(7)8)9-5-2-6-20-9/h2,5-6,8H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyGTYVJSFDCCYUKD-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.80
Rot. Bonds3

About 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (PubChem CID 117247620) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
PubChem CID117247620
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)n2c1CCCC2C(=O)O
InChIInChI=1S/C13H12N2O5/c16-12(17)8-4-1-3-7-10(13(18)19)14-11(15(7)8)9-5-2-6-20-9/h2,5-6,8H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyGTYVJSFDCCYUKD-UHFFFAOYSA-N
XLogP1.80
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247687
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247759
1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117248007
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744258
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The IUPAC name of 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (CID 117247620) is 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is O=C(O)c1nc(-c2ccco2)n2c1CCCC2C(=O)O.
What is the InChIKey of 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The InChIKey is GTYVJSFDCCYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c16-12(17)8-4-1-3-7-10(13(18)19)14-11(15(7)8)9-5-2-6-20-9/h2,5-6,8H,1,3-4H2,(H,16,17)(H,18,19).
What are the key properties of 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 117247620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).