2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

C32H18N4O2 — CID 130191532

IUPAC2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12
InChIInChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H
InChIKeyVOTVWGQEYWHZIU-UHFFFAOYSA-N
MW490.52 g/mol
LogP8.07
Rot. Bonds3

About 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191532) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID130191532
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12
InChIInChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H
InChIKeyVOTVWGQEYWHZIU-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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (CID 130191532) is 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12.
What is the InChIKey of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VOTVWGQEYWHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30/h1-18H.
What are the key properties of 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-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 2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).