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

C26H18N4O2S — CID 23432474

IUPAC2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESc1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccccn5)n4)c4c3OCCO4)n2)nc1
InChIInChI=1S/C26H18N4O2S/c1-3-13-27-17(7-1)19-9-5-11-21(29-19)25-23-24(32-16-15-31-23)26(33-25)22-12-6-10-20(30-22)18-8-2-4-14-28-18/h1-14H,15-16H2
InChIKeyYXIYHVPOJOYDBG-UHFFFAOYSA-N
MW450.52 g/mol
LogP5.77
Rot. Bonds4

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

2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (PubChem CID 23432474) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
PubChem CID23432474
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESc1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccccn5)n4)c4c3OCCO4)n2)nc1
InChIInChI=1S/C26H18N4O2S/c1-3-13-27-17(7-1)19-9-5-11-21(29-19)25-23-24(32-16-15-31-23)26(33-25)22-12-6-10-20(30-22)18-8-2-4-14-28-18/h1-14H,15-16H2
InChIKeyYXIYHVPOJOYDBG-UHFFFAOYSA-N
XLogP5.77
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (CID 23432474) is 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is c1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccccn5)n4)c4c3OCCO4)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The InChIKey is YXIYHVPOJOYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S/c1-3-13-27-17(7-1)19-9-5-11-21(29-19)25-23-24(32-16-15-31-23)26(33-25)22-12-6-10-20(30-22)18-8-2-4-14-28-18/h1-14H,15-16H2.
What are the key properties of 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine has a molecular weight of 450.52 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is sourced from PubChem (CID 23432474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).