8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine

C23H24N2O — CID 158125886

IUPAC8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C23H24N2O/c1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21/h5-11,13-15H,12H2,1-4H3/i1D3,14D
InChIKeyTZKPEHQNMWNJJM-CZEVESCESA-N
MW348.48 g/mol
LogP6.36
Rot. Bonds5

About 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine

8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 158125886) has the molecular formula C23H24N2O and a molecular weight of 348.48 g/mol. Its IUPAC name is 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID158125886
Molecular FormulaC23H24N2O
Molecular Weight348.48 g/mol
Exact Mass348.21
IUPAC Name8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C23H24N2O/c1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21/h5-11,13-15H,12H2,1-4H3/i1D3,14D
InChIKeyTZKPEHQNMWNJJM-CZEVESCESA-N
XLogP6.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611540
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
trimethyl-[10-(4-propan-2-yl-2-pyridinyl)naphtho[1,2-b][1]benzofuran-3-yl]silane
CID 164832366

Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine (CID 158125886) is 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)cccc12.
What is the InChIKey of 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is TZKPEHQNMWNJJM-CZEVESCESA-N. The full InChI is InChI=1S/C23H24N2O/c1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21/h5-11,13-15H,12H2,1-4H3/i1D3,14D.
What are the key properties of 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 348.48 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158125886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).