2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

C26H22N2O — CID 168827574

IUPAC2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)nc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1
InChIInChI=1S/C26H22N2O/c1-15-13-18(4)27-23(14-15)21-10-6-9-19-20-11-12-22(28-26(20)29-25(19)21)24-16(2)7-5-8-17(24)3/h5-14H,1-4H3
InChIKeyMSZHWUGAJTXAHN-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.94
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168827574) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168827574
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)nc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1
InChIInChI=1S/C26H22N2O/c1-15-13-18(4)27-23(14-15)21-10-6-9-19-20-11-12-22(28-26(20)29-25(19)21)24-16(2)7-5-8-17(24)3/h5-14H,1-4H3
InChIKeyMSZHWUGAJTXAHN-UHFFFAOYSA-N
XLogP6.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-[5-(1,1-dideuterio-2,2-dimethylpropyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827971
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827967
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742099
8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
19-(2,6-dimethylphenyl)-16-oxa-9,18-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17(22),18,20,24-dodecaene
CID 157124627
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 168827574) is 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)nc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MSZHWUGAJTXAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-15-13-18(4)27-23(14-15)21-10-6-9-19-20-11-12-22(28-26(20)29-25(19)21)24-16(2)7-5-8-17(24)3/h5-14H,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).