3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C13H18N2O3 — CID 117151920

IUPAC3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c1cnc2C1CCCOC1
InChIInChI=1S/C13H18N2O3/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyXZUHQVSIWSJXJC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds2

About 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117151920) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117151920
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c1cnc2C1CCCOC1
InChIInChI=1S/C13H18N2O3/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyXZUHQVSIWSJXJC-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151926
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151871
methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249654
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117152049
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117152041
3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 105497652
3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151912
3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid
CID 118955919
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105459210
3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151908
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105476515

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117151920) is 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2c1cnc2C1CCCOC1.
What is the InChIKey of 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is XZUHQVSIWSJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17).
What are the key properties of 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117151920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).