3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol

C13H18N2O2S — CID 172631817

IUPAC3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol
SMILESCOc1cc2nccn2cc1SC(C)(C)CCO
InChIInChI=1S/C13H18N2O2S/c1-13(2,4-7-16)18-11-9-15-6-5-14-12(15)8-10(11)17-3/h5-6,8-9,16H,4,7H2,1-3H3
InChIKeyCPXPXPWIWURGNL-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.60
Rot. Bonds5

About 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol

3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol (PubChem CID 172631817) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol
PubChem CID172631817
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol
SMILESCOc1cc2nccn2cc1SC(C)(C)CCO
InChIInChI=1S/C13H18N2O2S/c1-13(2,4-7-16)18-11-9-15-6-5-14-12(15)8-10(11)17-3/h5-6,8-9,16H,4,7H2,1-3H3
InChIKeyCPXPXPWIWURGNL-UHFFFAOYSA-N
XLogP2.60
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
CID 134366014
7-methoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 76849672
methyl 7-methoxyimidazo[1,2-a]pyridine-6-carboxylate
CID 76849673
6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
CID 172632192
3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol
CID 172631909
(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl) trifluoromethanesulfonate
CID 172632230
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
6-chloro-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine
CID 163428064
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510
7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridine
CID 170993941
6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
CID 150218840
6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
CID 172631800

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol?
The IUPAC name of 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol (CID 172631817) is 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol.
What is the SMILES notation for 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol?
The canonical SMILES for 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol is COc1cc2nccn2cc1SC(C)(C)CCO.
What is the InChIKey of 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol?
The InChIKey is CPXPXPWIWURGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,4-7-16)18-11-9-15-6-5-14-12(15)8-10(11)17-3/h5-6,8-9,16H,4,7H2,1-3H3.
What are the key properties of 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol?
3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol is sourced from PubChem (CID 172631817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).