2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine

C22H16N2O4S2 — CID 139180904

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESc1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1
InChIInChI=1S/C22H16N2O4S2/c1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h1-7,12H,8-11H2
InChIKeyWSCICFHFXRAJPL-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.14
Rot. Bonds3

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (PubChem CID 139180904) has the molecular formula C22H16N2O4S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
PubChem CID139180904
Molecular FormulaC22H16N2O4S2
Molecular Weight436.51 g/mol
Exact Mass436.06
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESc1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1
InChIInChI=1S/C22H16N2O4S2/c1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h1-7,12H,8-11H2
InChIKeyWSCICFHFXRAJPL-UHFFFAOYSA-N
XLogP5.14
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine with MolForge

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Related Compounds

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1H-pyrrole
CID 17865566
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole
CID 58381824
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole
CID 58381822
5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole
CID 58381820
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrrole
CID 152905987
4-[4-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 161065780
(Z)-1-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 164181453
5-[[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine
CID 5246969
4-[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-pyridinyl]pyridine
CID 90701975
5,7-Di-2-pyridyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90703678
5-Methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 134948007

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (CID 139180904) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is c1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The InChIKey is WSCICFHFXRAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4S2/c1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h1-7,12H,8-11H2.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine has a molecular weight of 436.51 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is sourced from PubChem (CID 139180904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).