5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H15N3O4S — CID 117250402

IUPAC5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc2c(C(=O)O)nc(C3CCS(=O)(=O)CC3)n12
InChIInChI=1S/C13H15N3O4S/c14-10-3-1-2-9-11(13(17)18)15-12(16(9)10)8-4-6-21(19,20)7-5-8/h1-3,8H,4-7,14H2,(H,17,18)
InChIKeyWIAMRZRFMFZXFQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.91
Rot. Bonds2

About 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250402) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250402
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc2c(C(=O)O)nc(C3CCS(=O)(=O)CC3)n12
InChIInChI=1S/C13H15N3O4S/c14-10-3-1-2-9-11(13(17)18)15-12(16(9)10)8-4-6-21(19,20)7-5-8/h1-3,8H,4-7,14H2,(H,17,18)
InChIKeyWIAMRZRFMFZXFQ-UHFFFAOYSA-N
XLogP0.91
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
3-(1,1-dioxothian-4-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251120
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252845
5-hydroxy-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005550
5-amino-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250835
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250436
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117250287
1-chloro-3-cyclobutylimidazo[1,5-a]pyridin-5-amine
CID 83869325
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83840388
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245
5-hydroxy-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005552
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250402) is 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccc2c(C(=O)O)nc(C3CCS(=O)(=O)CC3)n12.
What is the InChIKey of 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WIAMRZRFMFZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-10-3-1-2-9-11(13(17)18)15-12(16(9)10)8-4-6-21(19,20)7-5-8/h1-3,8H,4-7,14H2,(H,17,18).
What are the key properties of 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).