8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine

C21H16N2OS — CID 168828426

IUPAC8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c(C)c(C)sc4n3)cccc12
InChIInChI=1S/C21H16N2OS/c1-11-7-8-16-15-5-4-6-17(19(15)24-20(16)22-11)18-10-9-14-12(2)13(3)25-21(14)23-18/h4-10H,1-3H3
InChIKeyQIGYUDCUGYWTAQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.18
Rot. Bonds1

About 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine

8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828426) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID168828426
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c(C)c(C)sc4n3)cccc12
InChIInChI=1S/C21H16N2OS/c1-11-7-8-16-15-5-4-6-17(19(15)24-20(16)22-11)18-10-9-14-12(2)13(3)25-21(14)23-18/h4-10H,1-3H3
InChIKeyQIGYUDCUGYWTAQ-UHFFFAOYSA-N
XLogP6.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828621
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-[3-(1,1-dideuterio-2,2-dimethylpropyl)-2-methylthieno[2,3-b]pyridin-6-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 168828389
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
CID 168828175
2-methyl-8-[6-[[6-(2-methyl-[1]benzothiolo[2,3-b]pyridin-8-yl)-2-pyridinyl]oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742228
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065
8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629206
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
2-methyl-8-(2-phenylfuro[3,2-b]pyridin-5-yl)-[1]benzofuro[2,3-b]pyridine
CID 155629013

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 168828426) is 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4c(C)c(C)sc4n3)cccc12.
What is the InChIKey of 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QIGYUDCUGYWTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-11-7-8-16-15-5-4-6-17(19(15)24-20(16)22-11)18-10-9-14-12(2)13(3)25-21(14)23-18/h4-10H,1-3H3.
What are the key properties of 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 344.44 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).