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

C34H22N4O2S — CID 140742228

IUPAC2-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
SMILESCc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-c5cccc6c5sc5nc(C)ccc56)n4)n3)cccc12
InChIInChI=1S/C34H22N4O2S/c1-19-15-17-23-21-7-3-9-25(31(21)40-33(23)35-19)27-11-5-13-29(37-27)39-30-14-6-12-28(38-30)26-10-4-8-22-24-18-16-20(2)36-34(24)41-32(22)26/h3-18H,1-2H3
InChIKeyBNYJFZQLRYYOMM-UHFFFAOYSA-N
MW550.64 g/mol
LogP9.28
Rot. Bonds4

About 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

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 (PubChem CID 140742228) has the molecular formula C34H22N4O2S and a molecular weight of 550.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID140742228
Molecular FormulaC34H22N4O2S
Molecular Weight550.64 g/mol
Exact Mass550.15
IUPAC Name2-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
SMILESCc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-c5cccc6c5sc5nc(C)ccc56)n4)n3)cccc12
InChIInChI=1S/C34H22N4O2S/c1-19-15-17-23-21-7-3-9-25(31(21)40-33(23)35-19)27-11-5-13-29(37-27)39-30-14-6-12-28(38-30)26-10-4-8-22-24-18-16-20(2)36-34(24)41-32(22)26/h3-18H,1-2H3
InChIKeyBNYJFZQLRYYOMM-UHFFFAOYSA-N
XLogP9.28
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.64
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140741868
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 140742001
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
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
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
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
[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane
CID 140742144
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-c5cccc6c5sc5nc(C)ccc56)n4)n3)cccc12.
What is the InChIKey of 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?
The InChIKey is BNYJFZQLRYYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2S/c1-19-15-17-23-21-7-3-9-25(31(21)40-33(23)35-19)27-11-5-13-29(37-27)39-30-14-6-12-28(38-30)26-10-4-8-22-24-18-16-20(2)36-34(24)41-32(22)26/h3-18H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 550.64 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140742228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).