3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine

C26H23N3O2 — CID 177377483

IUPAC3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5coc6ccccc56)coc4c3)cc2)CC1
InChIInChI=1S/C26H23N3O2/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-25-26(27-15-19)23(17-31-25)22-16-30-24-5-3-2-4-21(22)24/h2-9,14-17H,10-13H2,1H3
InChIKeyIIEKSAPAOYUYQM-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.66
Rot. Bonds3

About 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine

3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 177377483) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
PubChem CID177377483
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5coc6ccccc56)coc4c3)cc2)CC1
InChIInChI=1S/C26H23N3O2/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-25-26(27-15-19)23(17-31-25)22-16-30-24-5-3-2-4-21(22)24/h2-9,14-17H,10-13H2,1H3
InChIKeyIIEKSAPAOYUYQM-UHFFFAOYSA-N
XLogP5.66
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (CID 177377483) is 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is CN1CCN(c2ccc(-c3cnc4c(-c5coc6ccccc56)coc4c3)cc2)CC1.
What is the InChIKey of 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The InChIKey is IIEKSAPAOYUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-25-26(27-15-19)23(17-31-25)22-16-30-24-5-3-2-4-21(22)24/h2-9,14-17H,10-13H2,1H3.
What are the key properties of 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 409.49 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 177377483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).