8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C28H25FN2O — CID 170043073

IUPAC8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1cc(-c2ccc(-c3cccc4c3oc3ncccc34)nc2)cc(C(C)C)c1F
InChIInChI=1S/C28H25FN2O/c1-16(2)23-13-19(14-24(17(3)4)26(23)29)18-10-11-25(31-15-18)22-8-5-7-20-21-9-6-12-30-28(21)32-27(20)22/h5-17H,1-4H3
InChIKeyMAUUUYDDILYIQK-UHFFFAOYSA-N
MW424.52 g/mol
LogP8.10
Rot. Bonds4

About 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 170043073) has the molecular formula C28H25FN2O and a molecular weight of 424.52 g/mol. Its IUPAC name is 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID170043073
Molecular FormulaC28H25FN2O
Molecular Weight424.52 g/mol
Exact Mass424.20
IUPAC Name8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1cc(-c2ccc(-c3cccc4c3oc3ncccc34)nc2)cc(C(C)C)c1F
InChIInChI=1S/C28H25FN2O/c1-16(2)23-13-19(14-24(17(3)4)26(23)29)18-10-11-25(31-15-18)22-8-5-7-20-21-9-6-12-30-28(21)32-27(20)22/h5-17H,1-4H3
InChIKeyMAUUUYDDILYIQK-UHFFFAOYSA-N
XLogP8.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 169293885
8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 158808732
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
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-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140791475
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904

Frequently Asked Questions

What is the IUPAC name of 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 170043073) is 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is CC(C)c1cc(-c2ccc(-c3cccc4c3oc3ncccc34)nc2)cc(C(C)C)c1F.
What is the InChIKey of 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MAUUUYDDILYIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O/c1-16(2)23-13-19(14-24(17(3)4)26(23)29)18-10-11-25(31-15-18)22-8-5-7-20-21-9-6-12-30-28(21)32-27(20)22/h5-17H,1-4H3.
What are the key properties of 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 424.52 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170043073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).