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

C26H22N2O — CID 155610853

IUPAC5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C(C)C)ccn2)c2oc3nc(-c4ccccc4)ccc3c12
InChIInChI=1S/C26H22N2O/c1-16(2)19-13-14-27-23(15-19)20-10-9-17(3)24-21-11-12-22(18-7-5-4-6-8-18)28-26(21)29-25(20)24/h4-16H,1-3H3
InChIKeyLYYMIJMJCRXYSM-UHFFFAOYSA-N
MW378.48 g/mol
LogP7.14
Rot. Bonds3

About 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 155610853) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID155610853
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C(C)C)ccn2)c2oc3nc(-c4ccccc4)ccc3c12
InChIInChI=1S/C26H22N2O/c1-16(2)19-13-14-27-23(15-19)20-10-9-17(3)24-21-11-12-22(18-7-5-4-6-8-18)28-26(21)29-25(20)24/h4-16H,1-3H3
InChIKeyLYYMIJMJCRXYSM-UHFFFAOYSA-N
XLogP7.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 162708417
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
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
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 155610853) is 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2cc(C(C)C)ccn2)c2oc3nc(-c4ccccc4)ccc3c12.
What is the InChIKey of 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LYYMIJMJCRXYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-16(2)19-13-14-27-23(15-19)20-10-9-17(3)24-21-11-12-22(18-7-5-4-6-8-18)28-26(21)29-25(20)24/h4-16H,1-3H3.
What are the key properties of 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155610853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).