3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol

C14H16N2O3S — CID 171959903

IUPAC3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)C2CCC1CC(O)(c1ccn3ccnc3c1)C2
InChIInChI=1S/C14H16N2O3S/c17-14(8-11-1-2-12(9-14)20(11,18)19)10-3-5-16-6-4-15-13(16)7-10/h3-7,11-12,17H,1-2,8-9H2
InChIKeyGTOAMQXBVOMOJK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.26
Rot. Bonds1

About 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol

3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171959903) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171959903
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)C2CCC1CC(O)(c1ccn3ccnc3c1)C2
InChIInChI=1S/C14H16N2O3S/c17-14(8-11-1-2-12(9-14)20(11,18)19)10-3-5-16-6-4-15-13(16)7-10/h3-7,11-12,17H,1-2,8-9H2
InChIKeyGTOAMQXBVOMOJK-UHFFFAOYSA-N
XLogP1.26
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol (CID 171959903) is 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol is O=S1(=O)C2CCC1CC(O)(c1ccn3ccnc3c1)C2.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is GTOAMQXBVOMOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-14(8-11-1-2-12(9-14)20(11,18)19)10-3-5-16-6-4-15-13(16)7-10/h3-7,11-12,17H,1-2,8-9H2.
What are the key properties of 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol?
3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 292.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-7-yl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).