8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C21H20N2O — CID 140791475

IUPAC8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCCc1ccc(-c2cccc3c2oc2nc(C(C)C)ccc23)nc1
InChIInChI=1S/C21H20N2O/c1-4-14-8-10-19(22-12-14)17-7-5-6-15-16-9-11-18(13(2)3)23-21(16)24-20(15)17/h5-13H,4H2,1-3H3
InChIKeyCMORHWLHJQZHRG-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.73
Rot. Bonds3

About 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 140791475) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID140791475
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCCc1ccc(-c2cccc3c2oc2nc(C(C)C)ccc23)nc1
InChIInChI=1S/C21H20N2O/c1-4-14-8-10-19(22-12-14)17-7-5-6-15-16-9-11-18(13(2)3)23-21(16)24-20(15)17/h5-13H,4H2,1-3H3
InChIKeyCMORHWLHJQZHRG-UHFFFAOYSA-N
XLogP5.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
6-(5-ethyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140815
8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 129021174
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
CID 174116029
CID 174116029
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827731
8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 90138381
8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170043073
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 157323519
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 140791475) is 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CCc1ccc(-c2cccc3c2oc2nc(C(C)C)ccc23)nc1.
What is the InChIKey of 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CMORHWLHJQZHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-4-14-8-10-19(22-12-14)17-7-5-6-15-16-9-11-18(13(2)3)23-21(16)24-20(15)17/h5-13H,4H2,1-3H3.
What are the key properties of 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 316.40 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140791475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).