3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol

C16H24N2O4S — CID 172631909

IUPAC3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-15(2,3)23(20,21)13-9-18-7-6-17-14(18)8-12(13)22-11-16(4,5)10-19/h6-9,19H,10-11H2,1-5H3
InChIKeyVEOIOFUZXJNIPT-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.30
Rot. Bonds5

About 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol

3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol (PubChem CID 172631909) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol
PubChem CID172631909
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-15(2,3)23(20,21)13-9-18-7-6-17-14(18)8-12(13)22-11-16(4,5)10-19/h6-9,19H,10-11H2,1-5H3
InChIKeyVEOIOFUZXJNIPT-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl) trifluoromethanesulfonate
CID 172632230
6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
CID 172631800
7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridine
CID 170993941
3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)sulfanyl-3-methylbutan-1-ol
CID 172631817
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
CID 134366014
7-methoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 76849672
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
CID 172632070
methyl 7-methoxyimidazo[1,2-a]pyridine-6-carboxylate
CID 76849673
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510
6-ethyl-7-methylimidazo[1,2-a]pyridine
CID 76849526
ethyl 6-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 76849693

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol (CID 172631909) is 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol?
The InChIKey is VEOIOFUZXJNIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-15(2,3)23(20,21)13-9-18-7-6-17-14(18)8-12(13)22-11-16(4,5)10-19/h6-9,19H,10-11H2,1-5H3.
What are the key properties of 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol?
3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol has a molecular weight of 340.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl)oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 172631909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).