2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C25H20N2O — CID 168828023

IUPAC2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)nc1
InChIInChI=1S/C25H20N2O/c1-15-10-12-21(26-14-15)20-9-5-8-18-19-11-13-22(27-25(19)28-24(18)20)23-16(2)6-4-7-17(23)3/h4-14H,1-3H3/i1D3
InChIKeyFHOPZWLDARRAEU-FIBGUPNXSA-N
MW367.47 g/mol
LogP6.64
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828023) has the molecular formula C25H20N2O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168828023
Molecular FormulaC25H20N2O
Molecular Weight367.47 g/mol
Exact Mass367.18
IUPAC Name2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)nc1
InChIInChI=1S/C25H20N2O/c1-15-10-12-21(26-14-15)20-9-5-8-18-19-11-13-22(27-25(19)28-24(18)20)23-16(2)6-4-7-17(23)3/h4-14H,1-3H3/i1D3
InChIKeyFHOPZWLDARRAEU-FIBGUPNXSA-N
XLogP6.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[5-(1,1-dideuterio-2,2-dimethylpropyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827971
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827574
8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827967
CID 174116029
CID 174116029
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-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 157323519
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
19-(2,6-dimethylphenyl)-16-oxa-9,18-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17(22),18,20,24-dodecaene
CID 157124627
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 168828023) is 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)nc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FHOPZWLDARRAEU-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H20N2O/c1-15-10-12-21(26-14-15)20-9-5-8-18-19-11-13-22(27-25(19)28-24(18)20)23-16(2)6-4-7-17(23)3/h4-14H,1-3H3/i1D3.
What are the key properties of 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 367.47 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).