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

C12H15ClN2O2S — CID 117249572

IUPAC1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(C3CCSC3)nc(Cl)c21
InChIInChI=1S/C12H15ClN2O2S/c13-10-9-8(12(16)17)2-1-4-15(9)11(14-10)7-3-5-18-6-7/h7-8H,1-6H2,(H,16,17)
InChIKeyBUISLIMRVRSPIP-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.72
Rot. Bonds2

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

1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117249572) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117249572
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(C3CCSC3)nc(Cl)c21
InChIInChI=1S/C12H15ClN2O2S/c13-10-9-8(12(16)17)2-1-4-15(9)11(14-10)7-3-5-18-6-7/h7-8H,1-6H2,(H,16,17)
InChIKeyBUISLIMRVRSPIP-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249625
8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249648
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249714
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250140
3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
methyl 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248901
1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249947
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251569
1-chloro-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250179
(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83869664
1-chloro-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249610

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117249572) is 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2c(C3CCSC3)nc(Cl)c21.
What is the InChIKey of 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is BUISLIMRVRSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-10-9-8(12(16)17)2-1-4-15(9)11(14-10)7-3-5-18-6-7/h7-8H,1-6H2,(H,16,17).
What are the key properties of 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 286.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117249572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).