2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C24H26N2O — CID 159546615

IUPAC2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cccc3c2oc2nc(C(C)(C)C)cc(C)c23)nc1
InChIInChI=1S/C24H26N2O/c1-14(2)16-10-11-19(25-13-16)17-8-7-9-18-21-15(3)12-20(24(4,5)6)26-23(21)27-22(17)18/h7-14H,1-6H3/i1D3,14D
InChIKeyYLBZSJMLUKBPIT-CZEVESCESA-N
MW362.51 g/mol
LogP6.77
Rot. Bonds3

About 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 159546615) has the molecular formula C24H26N2O and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID159546615
Molecular FormulaC24H26N2O
Molecular Weight362.51 g/mol
Exact Mass362.23
IUPAC Name2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cccc3c2oc2nc(C(C)(C)C)cc(C)c23)nc1
InChIInChI=1S/C24H26N2O/c1-14(2)16-10-11-19(25-13-16)17-8-7-9-18-21-15(3)12-20(24(4,5)6)26-23(21)27-22(17)18/h7-14H,1-6H3/i1D3,14D
InChIKeyYLBZSJMLUKBPIT-CZEVESCESA-N
XLogP6.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 157295231
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472
8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 118880752
CID 174116029
CID 174116029
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
2-tert-butyl-4-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)
CID 157303332
2-tert-butyl-7-methyl-8-[1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 158083109
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 159546615) is 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cccc3c2oc2nc(C(C)(C)C)cc(C)c23)nc1.
What is the InChIKey of 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YLBZSJMLUKBPIT-CZEVESCESA-N. The full InChI is InChI=1S/C24H26N2O/c1-14(2)16-10-11-19(25-13-16)17-8-7-9-18-21-15(3)12-20(24(4,5)6)26-23(21)27-22(17)18/h7-14H,1-6H3/i1D3,14D.
What are the key properties of 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 362.51 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159546615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).