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

C26H18N4O2S — CID 23432463

IUPAC2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccccn5)nc4)c4c3OCCO4)cn2)nc1
InChIInChI=1S/C26H18N4O2S/c1-3-11-27-19(5-1)21-9-7-17(15-29-21)25-23-24(32-14-13-31-23)26(33-25)18-8-10-22(30-16-18)20-6-2-4-12-28-20/h1-12,15-16H,13-14H2
InChIKeyOPXRGWYCXFUWNZ-UHFFFAOYSA-N
MW450.52 g/mol
LogP5.77
Rot. Bonds4

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

2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (PubChem CID 23432463) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
PubChem CID23432463
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccccn5)nc4)c4c3OCCO4)cn2)nc1
InChIInChI=1S/C26H18N4O2S/c1-3-11-27-19(5-1)21-9-7-17(15-29-21)25-23-24(32-14-13-31-23)26(33-25)18-8-10-22(30-16-18)20-6-2-4-12-28-20/h1-12,15-16H,13-14H2
InChIKeyOPXRGWYCXFUWNZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (CID 23432463) is 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccccn5)nc4)c4c3OCCO4)cn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The InChIKey is OPXRGWYCXFUWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S/c1-3-11-27-19(5-1)21-9-7-17(15-29-21)25-23-24(32-14-13-31-23)26(33-25)18-8-10-22(30-16-18)20-6-2-4-12-28-20/h1-12,15-16H,13-14H2.
What are the key properties of 2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
2-pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-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-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is sourced from PubChem (CID 23432463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).