8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

C32H18N4O2 — CID 166504122

IUPAC8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2ccc3oc4cccnc4c3c2)nc(-c2cccc(-c3ccc4oc5cccnc5c4c3)n2)c1
InChIInChI=1S/C32H18N4O2/c1-5-23(19-11-13-27-21(17-19)31-29(37-27)9-3-15-33-31)35-25(7-1)26-8-2-6-24(36-26)20-12-14-28-22(18-20)32-30(38-28)10-4-16-34-32/h1-18H
InChIKeyQMFYYNMJQVOCEP-UHFFFAOYSA-N
MW490.52 g/mol
LogP8.07
Rot. Bonds3

About 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 166504122) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID166504122
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2ccc3oc4cccnc4c3c2)nc(-c2cccc(-c3ccc4oc5cccnc5c4c3)n2)c1
InChIInChI=1S/C32H18N4O2/c1-5-23(19-11-13-27-21(17-19)31-29(37-27)9-3-15-33-31)35-25(7-1)26-8-2-6-24(36-26)20-12-14-28-22(18-20)32-30(38-28)10-4-16-34-32/h1-18H
InChIKeyQMFYYNMJQVOCEP-UHFFFAOYSA-N
XLogP8.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
CID 164946801
example 184 [WO2014186035]
CID 86280679
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-[(6-{2-[2-(1-Pyrrolidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274481
4-[(6-{2-[2-(4-Morpholinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274699
(6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 44374769
N-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]phenyl]-2-piperidin-1-ylacetamide
CID 141509638
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798

Frequently Asked Questions

What is the IUPAC name of 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (CID 166504122) is 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2ccc3oc4cccnc4c3c2)nc(-c2cccc(-c3ccc4oc5cccnc5c4c3)n2)c1.
What is the InChIKey of 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is QMFYYNMJQVOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c1-5-23(19-11-13-27-21(17-19)31-29(37-27)9-3-15-33-31)35-25(7-1)26-8-2-6-24(36-26)20-12-14-28-22(18-20)32-30(38-28)10-4-16-34-32/h1-18H.
What are the key properties of 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 490.52 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 166504122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).