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

C27H24N2O — CID 155610691

IUPAC8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C(CC)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C27H24N2O/c1-3-18(4-2)20-15-16-28-25(17-20)23-12-8-11-21-22-13-14-24(19-9-6-5-7-10-19)29-27(22)30-26(21)23/h5-18H,3-4H2,1-2H3/i18D
InChIKeyWRFKUDPQROELJM-VAAKKRCDSA-N
MW393.51 g/mol
LogP7.61
Rot. Bonds5

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

8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155610691) has the molecular formula C27H24N2O and a molecular weight of 393.51 g/mol. Its IUPAC name is 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155610691
Molecular FormulaC27H24N2O
Molecular Weight393.51 g/mol
Exact Mass393.20
IUPAC Name8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C(CC)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C27H24N2O/c1-3-18(4-2)20-15-16-28-25(17-20)23-12-8-11-21-22-13-14-24(19-9-6-5-7-10-19)29-27(22)30-26(21)23/h5-18H,3-4H2,1-2H3/i18D
InChIKeyWRFKUDPQROELJM-VAAKKRCDSA-N
XLogP7.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611540
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611435
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 155610691) is 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is [2H]C(CC)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is WRFKUDPQROELJM-VAAKKRCDSA-N. The full InChI is InChI=1S/C27H24N2O/c1-3-18(4-2)20-15-16-28-25(17-20)23-12-8-11-21-22-13-14-24(19-9-6-5-7-10-19)29-27(22)30-26(21)23/h5-18H,3-4H2,1-2H3/i18D.
What are the key properties of 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 393.51 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155610691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).