4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine

C25H19N3O2S2 — CID 118346887

IUPAC4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccnc(-c3cc(-c4ccc(OC)s4)cc(-c4ccccn4)n3)c2)s1
InChIInChI=1S/C25H19N3O2S2/c1-29-24-8-6-22(31-24)16-10-12-27-19(13-16)21-15-17(23-7-9-25(30-2)32-23)14-20(28-21)18-5-3-4-11-26-18/h3-15H,1-2H3
InChIKeyPJXFQZLOYDHEAM-UHFFFAOYSA-N
MW457.58 g/mol
LogP6.68
Rot. Bonds6

About 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine

4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 118346887) has the molecular formula C25H19N3O2S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine
PubChem CID118346887
Molecular FormulaC25H19N3O2S2
Molecular Weight457.58 g/mol
Exact Mass457.09
IUPAC Name4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccnc(-c3cc(-c4ccc(OC)s4)cc(-c4ccccn4)n3)c2)s1
InChIInChI=1S/C25H19N3O2S2/c1-29-24-8-6-22(31-24)16-10-12-27-19(13-16)21-15-17(23-7-9-25(30-2)32-23)14-20(28-21)18-5-3-4-11-26-18/h3-15H,1-2H3
InChIKeyPJXFQZLOYDHEAM-UHFFFAOYSA-N
XLogP6.68
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 118346887) is 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine is COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC)s4)cc(-c4ccccn4)n3)c2)s1.
What is the InChIKey of 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The InChIKey is PJXFQZLOYDHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S2/c1-29-24-8-6-22(31-24)16-10-12-27-19(13-16)21-15-17(23-7-9-25(30-2)32-23)14-20(28-21)18-5-3-4-11-26-18/h3-15H,1-2H3.
What are the key properties of 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 457.58 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxythiophen-2-yl)-2-[4-(5-methoxythiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 118346887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).