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

C14H19N3O3S — CID 117159890

IUPAC2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
SMILESCOCCc1nc2cccnc2n1CC1CCCS1(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-20-8-6-13-16-12-5-2-7-15-14(12)17(13)10-11-4-3-9-21(11,18)19/h2,5,7,11H,3-4,6,8-10H2,1H3
InChIKeySNMBYRXBAGFXOF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.20
Rot. Bonds5

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

2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide (PubChem CID 117159890) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
PubChem CID117159890
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
SMILESCOCCc1nc2cccnc2n1CC1CCCS1(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-20-8-6-13-16-12-5-2-7-15-14(12)17(13)10-11-4-3-9-21(11,18)19/h2,5,7,11H,3-4,6,8-10H2,1H3
InChIKeySNMBYRXBAGFXOF-UHFFFAOYSA-N
XLogP1.20
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117166410
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
2-[[2-(2-chloroethyl)benzimidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 81040364
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
N-cyclopentyl-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 126456884
2-(2-methoxyethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117159846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide (CID 117159890) is 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide is COCCc1nc2cccnc2n1CC1CCCS1(=O)=O.
What is the InChIKey of 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is SNMBYRXBAGFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-8-6-13-16-12-5-2-7-15-14(12)17(13)10-11-4-3-9-21(11,18)19/h2,5,7,11H,3-4,6,8-10H2,1H3.
What are the key properties of 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide?
2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 309.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117159890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).