6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine

C12H16N2O2S — CID 134366014

IUPAC6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2nccn2cc1S(=O)C(C)(C)C
InChIInChI=1S/C12H16N2O2S/c1-12(2,3)17(15)10-8-14-6-5-13-11(14)7-9(10)16-4/h5-8H,1-4H3
InChIKeyQLHJQFJDZLRIQI-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.25
Rot. Bonds2

About 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine

6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 134366014) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
PubChem CID134366014
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2nccn2cc1S(=O)C(C)(C)C
InChIInChI=1S/C12H16N2O2S/c1-12(2,3)17(15)10-8-14-6-5-13-11(14)7-9(10)16-4/h5-8H,1-4H3
InChIKeyQLHJQFJDZLRIQI-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol
CID 172631817
7-methoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 76849672
methyl 7-methoxyimidazo[1,2-a]pyridine-6-carboxylate
CID 76849673
7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridine
CID 170993941
7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate
CID 172632025
(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl) trifluoromethanesulfonate
CID 172632230
6-tert-butylsulfinyl-4-chloro-7-methoxyquinazoline
CID 174369974
6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
CID 150218840
3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol
CID 172631909
6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
CID 172632192
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate
CID 146193908

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine (CID 134366014) is 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine is COc1cc2nccn2cc1S(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is QLHJQFJDZLRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-12(2,3)17(15)10-8-14-6-5-13-11(14)7-9(10)16-4/h5-8H,1-4H3.
What are the key properties of 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 252.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 134366014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).