2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C13H14N2O3S — CID 117129058

IUPAC2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCS(=O)(=O)C3)cn2c1
InChIInChI=1S/C13H14N2O3S/c16-8-11-1-2-13-14-12(7-15(13)6-11)5-10-3-4-19(17,18)9-10/h1-2,6-8,10H,3-5,9H2
InChIKeyDVOLVFMOPLNHAT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.12
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117129058) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117129058
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCS(=O)(=O)C3)cn2c1
InChIInChI=1S/C13H14N2O3S/c16-8-11-1-2-13-14-12(7-15(13)6-11)5-10-3-4-19(17,18)9-10/h1-2,6-8,10H,3-5,9H2
InChIKeyDVOLVFMOPLNHAT-UHFFFAOYSA-N
XLogP1.12
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129769
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157702
methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153862
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117155262

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117129058) is 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(CC3CCS(=O)(=O)C3)cn2c1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is DVOLVFMOPLNHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-8-11-1-2-13-14-12(7-15(13)6-11)5-10-3-4-19(17,18)9-10/h1-2,6-8,10H,3-5,9H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 278.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117129058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).