6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

C30H26N2O — CID 169038884

IUPAC6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3c(n2)oc2ccc(-c4cc(CC5CC6CCC5C6)ccn4)cc23)cc1
InChIInChI=1S/C30H26N2O/c1-2-4-21(5-3-1)27-10-9-25-26-18-23(8-11-29(26)33-30(25)32-27)28-17-20(12-13-31-28)16-24-15-19-6-7-22(24)14-19/h1-5,8-13,17-19,22,24H,6-7,14-16H2
InChIKeyINSBSYVQCDQOBX-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.69
Rot. Bonds4

About 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 169038884) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID169038884
Molecular FormulaC30H26N2O
Molecular Weight430.55 g/mol
Exact Mass430.20
IUPAC Name6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3c(n2)oc2ccc(-c4cc(CC5CC6CCC5C6)ccn4)cc23)cc1
InChIInChI=1S/C30H26N2O/c1-2-4-21(5-3-1)27-10-9-25-26-18-23(8-11-29(26)33-30(25)32-27)28-17-20(12-13-31-28)16-24-15-19-6-7-22(24)14-19/h1-5,8-13,17-19,22,24H,6-7,14-16H2
InChIKeyINSBSYVQCDQOBX-UHFFFAOYSA-N
XLogP7.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine
CID 155612711
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574555
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 166575401
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039245
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577524
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-[7-phenyl-1-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 155611526
6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)
CID 163681405

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 169038884) is 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc3c(n2)oc2ccc(-c4cc(CC5CC6CCC5C6)ccn4)cc23)cc1.
What is the InChIKey of 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is INSBSYVQCDQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O/c1-2-4-21(5-3-1)27-10-9-25-26-18-23(8-11-29(26)33-30(25)32-27)28-17-20(12-13-31-28)16-24-15-19-6-7-22(24)14-19/h1-5,8-13,17-19,22,24H,6-7,14-16H2.
What are the key properties of 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 430.55 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 169038884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).