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

C12H17N3O4S — CID 117247458

IUPAC5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNC1CCCc2c(C(=O)O)nc(C3CCS(=O)(=O)C3)n21
InChIInChI=1S/C12H17N3O4S/c13-9-3-1-2-8-10(12(16)17)14-11(15(8)9)7-4-5-20(18,19)6-7/h7,9H,1-6,13H2,(H,16,17)
InChIKeyOCTPEHKDWZWTIR-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.28
Rot. Bonds2

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

5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247458) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117247458
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNC1CCCc2c(C(=O)O)nc(C3CCS(=O)(=O)C3)n21
InChIInChI=1S/C12H17N3O4S/c13-9-3-1-2-8-10(12(16)17)14-11(15(8)9)7-4-5-20(18,19)6-7/h7,9H,1-6,13H2,(H,16,17)
InChIKeyOCTPEHKDWZWTIR-UHFFFAOYSA-N
XLogP0.28
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid with MolForge

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Related Compounds

5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247779
3-(1,1-dioxothian-4-yl)-8-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249700
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250402
1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247543
3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117152418
3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247759
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142451
3-(1,1-dioxothian-4-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251120
2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxylic acid
CID 115337398
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
1-[[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447114

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247458) is 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is NC1CCCc2c(C(=O)O)nc(C3CCS(=O)(=O)C3)n21.
What is the InChIKey of 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is OCTPEHKDWZWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-9-3-1-2-8-10(12(16)17)14-11(15(8)9)7-4-5-20(18,19)6-7/h7,9H,1-6,13H2,(H,16,17).
What are the key properties of 5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.28, 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-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).