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

C25H25N3O — CID 171471463

IUPAC3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(Cc5ccccc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H25N3O/c1-27-11-13-28(14-12-27)23-9-7-20(8-10-23)21-16-24-25(26-17-21)22(18-29-24)15-19-5-3-2-4-6-19/h2-10,16-18H,11-15H2,1H3
InChIKeyKGCSMEVSSKPBDK-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.84
Rot. Bonds4

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

3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 171471463) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
PubChem CID171471463
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(Cc5ccccc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H25N3O/c1-27-11-13-28(14-12-27)23-9-7-20(8-10-23)21-16-24-25(26-17-21)22(18-29-24)15-19-5-3-2-4-6-19/h2-10,16-18H,11-15H2,1H3
InChIKeyKGCSMEVSSKPBDK-UHFFFAOYSA-N
XLogP4.84
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine (CID 171471463) is 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is CN1CCN(c2ccc(-c3cnc4c(Cc5ccccc5)coc4c3)cc2)CC1.
What is the InChIKey of 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
The InChIKey is KGCSMEVSSKPBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-27-11-13-28(14-12-27)23-9-7-20(8-10-23)21-16-24-25(26-17-21)22(18-29-24)15-19-5-3-2-4-6-19/h2-10,16-18H,11-15H2,1H3.
What are the key properties of 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine?
3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 383.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 171471463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).