3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine

C18H12FN3S — CID 71544374

IUPAC3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine
SMILESCc1ncncc1-c1ccnc2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C18H12FN3S/c1-11-15(8-20-10-22-11)14-6-7-21-17-16(9-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKeyUWFKOUNTHXICQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.87
Rot. Bonds2

About 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine

3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine (PubChem CID 71544374) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine
PubChem CID71544374
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine
SMILESCc1ncncc1-c1ccnc2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C18H12FN3S/c1-11-15(8-20-10-22-11)14-6-7-21-17-16(9-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKeyUWFKOUNTHXICQL-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine (CID 71544374) is 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine is Cc1ncncc1-c1ccnc2c(-c3ccc(F)cc3)csc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine?
The InChIKey is UWFKOUNTHXICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c1-11-15(8-20-10-22-11)14-6-7-21-17-16(9-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine?
3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine has a molecular weight of 321.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 71544374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).