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

C12H16N2O3 — CID 116984242

IUPAC3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(=O)CCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C12H16N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-7H2,1H3,(H,16,17)
InChIKeyXJERUYBOJSEXCE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.44
Rot. Bonds4

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

3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984242) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984242
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(=O)CCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C12H16N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-7H2,1H3,(H,16,17)
InChIKeyXJERUYBOJSEXCE-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247796
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247244
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
3-[(cyclobutylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247232
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
3-(morpholin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984248
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984200

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984242) is 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC(=O)CCc1nc(C(=O)O)c2n1CCCC2.
What is the InChIKey of 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XJERUYBOJSEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-7H2,1H3,(H,16,17).
What are the key properties of 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).