[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol

C21H17N3O2S — CID 71048080

IUPAC[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol
SMILESCOc1cccc(-c2cc(-c3cccs3)cc(-c3cccc(CO)n3)n2)n1
InChIInChI=1S/C21H17N3O2S/c1-26-21-9-3-7-17(24-21)19-12-14(20-8-4-10-27-20)11-18(23-19)16-6-2-5-15(13-25)22-16/h2-12,25H,13H2,1H3
InChIKeyWFUIJSORKIRLKL-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.43
Rot. Bonds5

About [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol

[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol (PubChem CID 71048080) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol
PubChem CID71048080
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol
SMILESCOc1cccc(-c2cc(-c3cccs3)cc(-c3cccc(CO)n3)n2)n1
InChIInChI=1S/C21H17N3O2S/c1-26-21-9-3-7-17(24-21)19-12-14(20-8-4-10-27-20)11-18(23-19)16-6-2-5-15(13-25)22-16/h2-12,25H,13H2,1H3
InChIKeyWFUIJSORKIRLKL-UHFFFAOYSA-N
XLogP4.43
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol (CID 71048080) is [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol is COc1cccc(-c2cc(-c3cccs3)cc(-c3cccc(CO)n3)n2)n1.
What is the InChIKey of [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The InChIKey is WFUIJSORKIRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-21-9-3-7-17(24-21)19-12-14(20-8-4-10-27-20)11-18(23-19)16-6-2-5-15(13-25)22-16/h2-12,25H,13H2,1H3.
What are the key properties of [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
[6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol has a molecular weight of 375.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(6-methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol is sourced from PubChem (CID 71048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).