2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

C16H14N4O3S — CID 134462976

IUPAC2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C)cnc3o2)nc2ccccn12
InChIInChI=1S/C16H14N4O3S/c1-3-24(21,22)16-13(19-12-6-4-5-7-20(12)16)15-18-11-8-10(2)9-17-14(11)23-15/h4-9H,3H2,1-2H3
InChIKeyILAXIDIDZJTTER-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.64
Rot. Bonds3

About 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 134462976) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID134462976
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C)cnc3o2)nc2ccccn12
InChIInChI=1S/C16H14N4O3S/c1-3-24(21,22)16-13(19-12-6-4-5-7-20(12)16)15-18-11-8-10(2)9-17-14(11)23-15/h4-9H,3H2,1-2H3
InChIKeyILAXIDIDZJTTER-UHFFFAOYSA-N
XLogP2.64
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 122608310
6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine
CID 58148118
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethylsulfonyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90268447
2-(3-ethylsulfonyl-1-oxidopyridin-1-ium-2-yl)-6-methylsulfonyl-[1,3]oxazolo[5,4-b]pyridine
CID 118581465
6-bromo-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137378448
2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438528
1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 138533755
2-butylimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 165499954
2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62143002
2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 71979560
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 134462976) is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C)cnc3o2)nc2ccccn12.
What is the InChIKey of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ILAXIDIDZJTTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-3-24(21,22)16-13(19-12-6-4-5-7-20(12)16)15-18-11-8-10(2)9-17-14(11)23-15/h4-9H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 342.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 134462976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).