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

C20H14FN3S — CID 71544375

IUPAC7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine
SMILESFc1ccc(-c2csc3c(-c4cncnc4C4CC4)ccnc23)cc1
InChIInChI=1S/C20H14FN3S/c21-14-5-3-12(4-6-14)17-10-25-20-15(7-8-23-19(17)20)16-9-22-11-24-18(16)13-1-2-13/h3-11,13H,1-2H2
InChIKeyRICILNMBDFRMHP-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.44
Rot. Bonds3

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

7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine (PubChem CID 71544375) has the molecular formula C20H14FN3S and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine
PubChem CID71544375
Molecular FormulaC20H14FN3S
Molecular Weight347.42 g/mol
Exact Mass347.09
IUPAC Name7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine
SMILESFc1ccc(-c2csc3c(-c4cncnc4C4CC4)ccnc23)cc1
InChIInChI=1S/C20H14FN3S/c21-14-5-3-12(4-6-14)17-10-25-20-15(7-8-23-19(17)20)16-9-22-11-24-18(16)13-1-2-13/h3-11,13H,1-2H2
InChIKeyRICILNMBDFRMHP-UHFFFAOYSA-N
XLogP5.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine (CID 71544375) is 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine is Fc1ccc(-c2csc3c(-c4cncnc4C4CC4)ccnc23)cc1.
What is the InChIKey of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine?
The InChIKey is RICILNMBDFRMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3S/c21-14-5-3-12(4-6-14)17-10-25-20-15(7-8-23-19(17)20)16-9-22-11-24-18(16)13-1-2-13/h3-11,13H,1-2H2.
What are the key properties of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine?
7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine has a molecular weight of 347.42 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 71544375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).