2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde

C14H16N2O3S — CID 117136819

IUPAC2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cc(CC3CCCCS3(=O)=O)nc12
InChIInChI=1S/C14H16N2O3S/c17-10-11-4-3-6-16-9-12(15-14(11)16)8-13-5-1-2-7-20(13,18)19/h3-4,6,9-10,13H,1-2,5,7-8H2
InChIKeyZBPUZWTUVPCWRT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde

2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde (PubChem CID 117136819) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
PubChem CID117136819
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cc(CC3CCCCS3(=O)=O)nc12
InChIInChI=1S/C14H16N2O3S/c17-10-11-4-3-6-16-9-12(15-14(11)16)8-13-5-1-2-7-20(13,18)19/h3-4,6,9-10,13H,1-2,5,7-8H2
InChIKeyZBPUZWTUVPCWRT-UHFFFAOYSA-N
XLogP1.66
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792
3-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117146022
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117137327
2-cyclopropylimidazo[1,2-a]pyridine-8-carbaldehyde
CID 84732789
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136566
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157950
2-[(1,1-dioxothian-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136895
2-(oxan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136833
2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
CID 82387547

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde (CID 117136819) is 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde is O=Cc1cccn2cc(CC3CCCCS3(=O)=O)nc12.
What is the InChIKey of 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The InChIKey is ZBPUZWTUVPCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-10-11-4-3-6-16-9-12(15-14(11)16)8-13-5-1-2-7-20(13,18)19/h3-4,6,9-10,13H,1-2,5,7-8H2.
What are the key properties of 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde has a molecular weight of 292.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117136819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).