6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

C17H14ClFN2O2S — CID 177387024

IUPAC6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Cl)cn3c2SC2COCCO2)cc1
InChIInChI=1S/C17H14ClFN2O2S/c18-12-3-6-14-20-16(11-1-4-13(19)5-2-11)17(21(14)9-12)24-15-10-22-7-8-23-15/h1-6,9,15H,7-8,10H2
InChIKeyKBMZPCPPYBTNSI-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.26
Rot. Bonds3

About 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (PubChem CID 177387024) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
PubChem CID177387024
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Name6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Cl)cn3c2SC2COCCO2)cc1
InChIInChI=1S/C17H14ClFN2O2S/c18-12-3-6-14-20-16(11-1-4-13(19)5-2-11)17(21(14)9-12)24-15-10-22-7-8-23-15/h1-6,9,15H,7-8,10H2
InChIKeyKBMZPCPPYBTNSI-UHFFFAOYSA-N
XLogP4.26
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186
2-(4-chlorophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63616952
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
CID 163800953
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethynyl-trimethylsilane
CID 164792863
6-chloro-2-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
CID 1144698
2-(4-bromophenyl)-6-chloro-3-methylimidazo[1,2-a]pyridine
CID 78910128
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
2-[6-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912850
6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617964
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (CID 177387024) is 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccc(Cl)cn3c2SC2COCCO2)cc1.
What is the InChIKey of 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is KBMZPCPPYBTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c18-12-3-6-14-20-16(11-1-4-13(19)5-2-11)17(21(14)9-12)24-15-10-22-7-8-23-15/h1-6,9,15H,7-8,10H2.
What are the key properties of 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 364.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 177387024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).