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

C19H16N2O — CID 140692664

IUPAC8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(c1ccnc(-c2cccc3c2oc2ncccc23)c1)C([2H])([2H])[2H]
InChIInChI=1S/C19H16N2O/c1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16/h3-12H,1-2H3/i1D3,2D3,12D
InChIKeySFYZHJRFUAZFPQ-QLWPOVNFSA-N
MW295.39 g/mol
LogP5.17
Rot. Bonds4

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

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 140692664) has the molecular formula C19H16N2O and a molecular weight of 295.39 g/mol. Its IUPAC name is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID140692664
Molecular FormulaC19H16N2O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C([2H])(c1ccnc(-c2cccc3c2oc2ncccc23)c1)C([2H])([2H])[2H]
InChIInChI=1S/C19H16N2O/c1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16/h3-12H,1-2H3/i1D3,2D3,12D
InChIKeySFYZHJRFUAZFPQ-QLWPOVNFSA-N
XLogP5.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 158808732
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzofuran-4-yl]benzenecarboperoxoic acid
CID 166573818
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
4-(2-deuteriopropan-2-yl)-2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166574628
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 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 140692664) is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C([2H])(c1ccnc(-c2cccc3c2oc2ncccc23)c1)C([2H])([2H])[2H].
What is the InChIKey of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SFYZHJRFUAZFPQ-QLWPOVNFSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16/h3-12H,1-2H3/i1D3,2D3,12D.
What are the key properties of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140692664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).