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

C24H26N2O — CID 155612290

IUPAC8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2nc(C(C)C)ccc23)c1
InChIInChI=1S/C24H26N2O/c1-5-16(6-2)17-12-13-25-22(14-17)20-9-7-8-18-19-10-11-21(15(3)4)26-24(19)27-23(18)20/h7-16H,5-6H2,1-4H3
InChIKeyFWMZJDAMDXKERG-UHFFFAOYSA-N
MW358.49 g/mol
LogP7.07
Rot. Bonds5

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

8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155612290) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID155612290
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2nc(C(C)C)ccc23)c1
InChIInChI=1S/C24H26N2O/c1-5-16(6-2)17-12-13-25-22(14-17)20-9-7-8-18-19-10-11-21(15(3)4)26-24(19)27-23(18)20/h7-16H,5-6H2,1-4H3
InChIKeyFWMZJDAMDXKERG-UHFFFAOYSA-N
XLogP7.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611540
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140791475
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-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 129021174

Frequently Asked Questions

What is the IUPAC name of 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 155612290) is 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CCC(CC)c1ccnc(-c2cccc3c2oc2nc(C(C)C)ccc23)c1.
What is the InChIKey of 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FWMZJDAMDXKERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-5-16(6-2)17-12-13-25-22(14-17)20-9-7-8-18-19-10-11-21(15(3)4)26-24(19)27-23(18)20/h7-16H,5-6H2,1-4H3.
What are the key properties of 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 358.49 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155612290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).