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

C27H23FN2O — CID 155611638

IUPAC2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(F)cc(C)c1-c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H23FN2O/c1-15(2)18-10-11-29-24(14-18)22-7-5-6-20-21-8-9-23(30-27(21)31-26(20)22)25-16(3)12-19(28)13-17(25)4/h5-15H,1-4H3
InChIKeyXTJMLQZMWIDFSZ-UHFFFAOYSA-N
MW410.49 g/mol
LogP7.59
Rot. Bonds3

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

2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611638) has the molecular formula C27H23FN2O and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID155611638
Molecular FormulaC27H23FN2O
Molecular Weight410.49 g/mol
Exact Mass410.18
IUPAC Name2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(F)cc(C)c1-c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H23FN2O/c1-15(2)18-10-11-29-24(14-18)22-7-5-6-20-21-8-9-23(30-27(21)31-26(20)22)25-16(3)12-19(28)13-17(25)4/h5-15H,1-4H3
InChIKeyXTJMLQZMWIDFSZ-UHFFFAOYSA-N
XLogP7.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353
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-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
trimethyl-[10-(4-propan-2-yl-2-pyridinyl)naphtho[1,2-b][1]benzofuran-3-yl]silane
CID 164832366
2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166576213

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 155611638) is 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(F)cc(C)c1-c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12.
What is the InChIKey of 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XTJMLQZMWIDFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O/c1-15(2)18-10-11-29-24(14-18)22-7-5-6-20-21-8-9-23(30-27(21)31-26(20)22)25-16(3)12-19(28)13-17(25)4/h5-15H,1-4H3.
What are the key properties of 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 410.49 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).