2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine

C19H12N2OS — CID 168828175

IUPAC2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4sccc4n3)cccc12
InChIInChI=1S/C19H12N2OS/c1-11-5-6-13-12-3-2-4-14(18(12)22-19(13)20-11)15-7-8-17-16(21-15)9-10-23-17/h2-10H,1H3
InChIKeyNKLSGALHAKIDBW-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.57
Rot. Bonds1

About 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine

2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828175) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID168828175
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Name2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4sccc4n3)cccc12
InChIInChI=1S/C19H12N2OS/c1-11-5-6-13-12-3-2-4-14(18(12)22-19(13)20-11)15-7-8-17-16(21-15)9-10-23-17/h2-10H,1H3
InChIKeyNKLSGALHAKIDBW-UHFFFAOYSA-N
XLogP5.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629206
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
2-methyl-8-(2-phenylfuro[3,2-b]pyridin-5-yl)-[1]benzofuro[2,3-b]pyridine
CID 155629013
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
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-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-b]pyridin-5-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 168828573
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-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine (CID 168828175) is 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4sccc4n3)cccc12.
What is the InChIKey of 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NKLSGALHAKIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c1-11-5-6-13-12-3-2-4-14(18(12)22-19(13)20-11)15-7-8-17-16(21-15)9-10-23-17/h2-10H,1H3.
What are the key properties of 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 316.39 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).