4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine

C28H16N4OS — CID 142336323

IUPAC4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccnc6ccsc56)cn4)nc3)ccnc12
InChIInChI=1S/C28H16N4OS/c1-2-4-25-21(3-1)26-27(33-25)19(9-13-30-26)17-5-7-22(31-15-17)23-8-6-18(16-32-23)20-10-12-29-24-11-14-34-28(20)24/h1-16H
InChIKeyPJVIKJACIGWFRT-UHFFFAOYSA-N
MW456.53 g/mol
LogP7.38
Rot. Bonds3

About 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine

4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336323) has the molecular formula C28H16N4OS and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336323
Molecular FormulaC28H16N4OS
Molecular Weight456.53 g/mol
Exact Mass456.10
IUPAC Name4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccnc6ccsc56)cn4)nc3)ccnc12
InChIInChI=1S/C28H16N4OS/c1-2-4-25-21(3-1)26-27(33-25)19(9-13-30-26)17-5-7-22(31-15-17)23-8-6-18(16-32-23)20-10-12-29-24-11-14-34-28(20)24/h1-16H
InChIKeyPJVIKJACIGWFRT-UHFFFAOYSA-N
XLogP7.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine (CID 142336323) is 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccnc6ccsc56)cn4)nc3)ccnc12.
What is the InChIKey of 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is PJVIKJACIGWFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N4OS/c1-2-4-25-21(3-1)26-27(33-25)19(9-13-30-26)17-5-7-22(31-15-17)23-8-6-18(16-32-23)20-10-12-29-24-11-14-34-28(20)24/h1-16H.
What are the key properties of 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 456.53 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-thieno[3,2-b]pyridin-7-yl-2-pyridinyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).