3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid

C13H14N2O4S — CID 117147480

IUPAC3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(C3CCCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H14N2O4S/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-20(18,19)8-9/h1,4-5,7,9H,2-3,6,8H2,(H,16,17)
InChIKeyYUXWLYJNVWNWSI-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.32
Rot. Bonds2

About 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid

3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117147480) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117147480
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(C3CCCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H14N2O4S/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-20(18,19)8-9/h1,4-5,7,9H,2-3,6,8H2,(H,16,17)
InChIKeyYUXWLYJNVWNWSI-UHFFFAOYSA-N
XLogP1.32
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117146435
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147381
3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147415
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147552
methyl 3-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147483
3-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83831277
3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117141476
4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145378
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
3-ethylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83829474

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 117147480) is 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(C3CCCS(=O)(=O)C3)ncc12.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is YUXWLYJNVWNWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-13(17)10-4-1-5-15-11(10)7-14-12(15)9-3-2-6-20(18,19)8-9/h1,4-5,7,9H,2-3,6,8H2,(H,16,17).
What are the key properties of 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).