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

C26H23N3OS — CID 177377484

IUPAC3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)coc4c3)cc2)CC1
InChIInChI=1S/C26H23N3OS/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-24-26(27-15-19)22(16-30-24)23-17-31-25-5-3-2-4-21(23)25/h2-9,14-17H,10-13H2,1H3
InChIKeyGEKNLRRDTWJWIS-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.13
Rot. Bonds3

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

3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 177377484) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
PubChem CID177377484
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)coc4c3)cc2)CC1
InChIInChI=1S/C26H23N3OS/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-24-26(27-15-19)22(16-30-24)23-17-31-25-5-3-2-4-21(23)25/h2-9,14-17H,10-13H2,1H3
InChIKeyGEKNLRRDTWJWIS-UHFFFAOYSA-N
XLogP6.13
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (CID 177377484) is 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is CN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)coc4c3)cc2)CC1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The InChIKey is GEKNLRRDTWJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-28-10-12-29(13-11-28)20-8-6-18(7-9-20)19-14-24-26(27-15-19)22(16-30-24)23-17-31-25-5-3-2-4-21(23)25/h2-9,14-17H,10-13H2,1H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 425.56 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 177377484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).