8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C25H15FN2OS — CID 155626532

IUPAC8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4cc(-c5ccc(F)cc5)sc4cn3)cccc12
InChIInChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-11-16-12-22(30-23(16)13-27-21)15-6-8-17(26)9-7-15/h2-13H,1H3
InChIKeyUIUASUNCWFVUHV-UHFFFAOYSA-N
MW410.47 g/mol
LogP7.37
Rot. Bonds2

About 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155626532) has the molecular formula C25H15FN2OS and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155626532
Molecular FormulaC25H15FN2OS
Molecular Weight410.47 g/mol
Exact Mass410.09
IUPAC Name8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4cc(-c5ccc(F)cc5)sc4cn3)cccc12
InChIInChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-11-16-12-22(30-23(16)13-27-21)15-6-8-17(26)9-7-15/h2-13H,1H3
InChIKeyUIUASUNCWFVUHV-UHFFFAOYSA-N
XLogP7.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155626532) is 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc4cc(-c5ccc(F)cc5)sc4cn3)cccc12.
What is the InChIKey of 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UIUASUNCWFVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-11-16-12-22(30-23(16)13-27-21)15-6-8-17(26)9-7-15/h2-13H,1H3.
What are the key properties of 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 410.47 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155626532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).