5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine

C22H19N3S — CID 141362078

IUPAC5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
SMILESc1cc2c(c(-c3ccncc3)c1)CN(CCc1ccc3sccc3n1)C2
InChIInChI=1S/C22H19N3S/c1-2-17-14-25(12-8-18-4-5-22-21(24-18)9-13-26-22)15-20(17)19(3-1)16-6-10-23-11-7-16/h1-7,9-11,13H,8,12,14-15H2
InChIKeyGJLITBLUXJVXJI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.92
Rot. Bonds4

About 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine

5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine (PubChem CID 141362078) has the molecular formula C22H19N3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
PubChem CID141362078
Molecular FormulaC22H19N3S
Molecular Weight357.48 g/mol
Exact Mass357.13
IUPAC Name5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
SMILESc1cc2c(c(-c3ccncc3)c1)CN(CCc1ccc3sccc3n1)C2
InChIInChI=1S/C22H19N3S/c1-2-17-14-25(12-8-18-4-5-22-21(24-18)9-13-26-22)15-20(17)19(3-1)16-6-10-23-11-7-16/h1-7,9-11,13H,8,12,14-15H2
InChIKeyGJLITBLUXJVXJI-UHFFFAOYSA-N
XLogP4.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine?
The IUPAC name of 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine (CID 141362078) is 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine.
What is the SMILES notation for 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine?
The canonical SMILES for 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine is c1cc2c(c(-c3ccncc3)c1)CN(CCc1ccc3sccc3n1)C2.
What is the InChIKey of 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine?
The InChIKey is GJLITBLUXJVXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3S/c1-2-17-14-25(12-8-18-4-5-22-21(24-18)9-13-26-22)15-20(17)19(3-1)16-6-10-23-11-7-16/h1-7,9-11,13H,8,12,14-15H2.
What are the key properties of 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine?
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine has a molecular weight of 357.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine is sourced from PubChem (CID 141362078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).