2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione

C23H16N2O2S — CID 20605797

IUPAC2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)nc2sccc2c1-c1ccccc1
InChIInChI=1S/C23H16N2O2S/c1-14-19(13-25-22(26)16-9-5-6-10-17(16)23(25)27)24-21-18(11-12-28-21)20(14)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyQNYYIBJNFBTLCG-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.07
Rot. Bonds3

About 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione

2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione (PubChem CID 20605797) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione
PubChem CID20605797
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)nc2sccc2c1-c1ccccc1
InChIInChI=1S/C23H16N2O2S/c1-14-19(13-25-22(26)16-9-5-6-10-17(16)23(25)27)24-21-18(11-12-28-21)20(14)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyQNYYIBJNFBTLCG-UHFFFAOYSA-N
XLogP5.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione (CID 20605797) is 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione is Cc1c(CN2C(=O)c3ccccc3C2=O)nc2sccc2c1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione?
The InChIKey is QNYYIBJNFBTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c1-14-19(13-25-22(26)16-9-5-6-10-17(16)23(25)27)24-21-18(11-12-28-21)20(14)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione?
2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione has a molecular weight of 384.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenylthieno[2,3-b]pyridin-6-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 20605797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).