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

C26H30N2O — CID 155611540

IUPAC2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2nc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C26H30N2O/c1-6-17(7-2)18-13-14-27-23(15-18)22-10-8-9-20-21-12-11-19(16-26(3,4)5)28-25(21)29-24(20)22/h8-15,17H,6-7,16H2,1-5H3
InChIKeyATULHYBCNNWOPO-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.54
Rot. Bonds5

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

2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611540) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID155611540
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2nc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C26H30N2O/c1-6-17(7-2)18-13-14-27-23(15-18)22-10-8-9-20-21-12-11-19(16-26(3,4)5)28-25(21)29-24(20)22/h8-15,17H,6-7,16H2,1-5H3
InChIKeyATULHYBCNNWOPO-UHFFFAOYSA-N
XLogP7.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
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-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
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-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
2-([1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829607
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 155611540) is 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is CCC(CC)c1ccnc(-c2cccc3c2oc2nc(CC(C)(C)C)ccc23)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ATULHYBCNNWOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-6-17(7-2)18-13-14-27-23(15-18)22-10-8-9-20-21-12-11-19(16-26(3,4)5)28-25(21)29-24(20)22/h8-15,17H,6-7,16H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 386.54 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).