3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

C14H16N2O3 — CID 117140259

IUPAC3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(CC3CCCOC3)n2c1
InChIInChI=1S/C14H16N2O3/c17-14(18)11-3-4-12-7-15-13(16(12)8-11)6-10-2-1-5-19-9-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyABOQLTHZXNKIQU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds3

About 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117140259) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117140259
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(CC3CCCOC3)n2c1
InChIInChI=1S/C14H16N2O3/c17-14(18)11-3-4-12-7-15-13(16(12)8-11)6-10-2-1-5-19-9-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyABOQLTHZXNKIQU-UHFFFAOYSA-N
XLogP2.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144283
7-methyl-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144279
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140371
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140157
[3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149591
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140229
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117140259) is 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2cnc(CC3CCCOC3)n2c1.
What is the InChIKey of 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is ABOQLTHZXNKIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(18)11-3-4-12-7-15-13(16(12)8-11)6-10-2-1-5-19-9-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).