2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide

C15H15N3O3S — CID 117162452

IUPAC2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide
SMILESCc1ccc(-n2c(C3CCCS3(=O)=O)nc3cccnc32)o1
InChIInChI=1S/C15H15N3O3S/c1-10-6-7-13(21-10)18-14-11(4-2-8-16-14)17-15(18)12-5-3-9-22(12,19)20/h2,4,6-8,12H,3,5,9H2,1H3
InChIKeyMAXSATACWMQDIM-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.57
Rot. Bonds2

About 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide

2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide (PubChem CID 117162452) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide
PubChem CID117162452
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide
SMILESCc1ccc(-n2c(C3CCCS3(=O)=O)nc3cccnc32)o1
InChIInChI=1S/C15H15N3O3S/c1-10-6-7-13(21-10)18-14-11(4-2-8-16-14)17-15(18)12-5-3-9-22(12,19)20/h2,4,6-8,12H,3,5,9H2,1H3
InChIKeyMAXSATACWMQDIM-UHFFFAOYSA-N
XLogP2.57
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160855
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 117160854
2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117166410
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
2-(5-methylfuran-2-yl)-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117164583
2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
CID 117159890

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide (CID 117162452) is 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide is Cc1ccc(-n2c(C3CCCS3(=O)=O)nc3cccnc32)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide?
The InChIKey is MAXSATACWMQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10-6-7-13(21-10)18-14-11(4-2-8-16-14)17-15(18)12-5-3-9-22(12,19)20/h2,4,6-8,12H,3,5,9H2,1H3.
What are the key properties of 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide?
2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide has a molecular weight of 317.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 117162452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).