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

C23H17N3O2S — CID 66631835

IUPAC2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1
InChIInChI=1S/C23H17N3O2S/c1-14-12-16-13-15(20(25-21(16)29-14)19-8-4-5-10-24-19)9-11-26-22(27)17-6-2-3-7-18(17)23(26)28/h2-8,10,12-13H,9,11H2,1H3
InChIKeyFDWVGPBKSJMQEB-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.51
Rot. Bonds4

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

2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 66631835) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID66631835
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1
InChIInChI=1S/C23H17N3O2S/c1-14-12-16-13-15(20(25-21(16)29-14)19-8-4-5-10-24-19)9-11-26-22(27)17-6-2-3-7-18(17)23(26)28/h2-8,10,12-13H,9,11H2,1H3
InChIKeyFDWVGPBKSJMQEB-UHFFFAOYSA-N
XLogP4.51
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.51
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-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 66631835) is 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is Cc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1.
What is the InChIKey of 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is FDWVGPBKSJMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-14-12-16-13-15(20(25-21(16)29-14)19-8-4-5-10-24-19)9-11-26-22(27)17-6-2-3-7-18(17)23(26)28/h2-8,10,12-13H,9,11H2,1H3.
What are the key properties of 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 399.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66631835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).