2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

C22H15N3O2S — CID 66633234

IUPAC2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O2S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18/h2-13H,1H3
InChIKeyJOZQTBHLXVUVHE-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.72
Rot. Bonds3

About 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 66633234) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID66633234
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O2S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18/h2-13H,1H3
InChIKeyJOZQTBHLXVUVHE-UHFFFAOYSA-N
XLogP4.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 66633234) is 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is CC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is JOZQTBHLXVUVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18/h2-13H,1H3.
What are the key properties of 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 385.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66633234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).