2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C26H22N2O — CID 90121498

IUPAC2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(C(C)C)c4)ccn3)cccc12
InChIInChI=1S/C26H22N2O/c1-16(2)18-6-4-7-19(14-18)20-12-13-27-24(15-20)23-9-5-8-21-22-11-10-17(3)28-26(22)29-25(21)23/h4-16H,1-3H3
InChIKeyBJYOHSAWNCTOJX-UHFFFAOYSA-N
MW378.48 g/mol
LogP7.14
Rot. Bonds3

About 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90121498) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90121498
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(C(C)C)c4)ccn3)cccc12
InChIInChI=1S/C26H22N2O/c1-16(2)18-6-4-7-19(14-18)20-12-13-27-24(15-20)23-9-5-8-21-22-11-10-17(3)28-26(22)29-25(21)23/h4-16H,1-3H3
InChIKeyBJYOHSAWNCTOJX-UHFFFAOYSA-N
XLogP7.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626207
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;iridium;2-phenylpyridine
CID 162503281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 90121498) is 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4cccc(C(C)C)c4)ccn3)cccc12.
What is the InChIKey of 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BJYOHSAWNCTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-16(2)18-6-4-7-19(14-18)20-12-13-27-24(15-20)23-9-5-8-21-22-11-10-17(3)28-26(22)29-25(21)23/h4-16H,1-3H3.
What are the key properties of 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90121498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).