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

C26H27N3O — CID 171512511

IUPAC6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine
SMILESCC(c1ccccc1)c1coc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc12
InChIInChI=1S/C26H27N3O/c1-19(20-6-4-3-5-7-20)24-18-30-25-16-22(17-27-26(24)25)21-8-10-23(11-9-21)29-14-12-28(2)13-15-29/h3-11,16-19H,12-15H2,1-2H3
InChIKeyBAFVWPJWJOEATK-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.40
Rot. Bonds4

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

6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine (PubChem CID 171512511) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine
PubChem CID171512511
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine
SMILESCC(c1ccccc1)c1coc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc12
InChIInChI=1S/C26H27N3O/c1-19(20-6-4-3-5-7-20)24-18-30-25-16-22(17-27-26(24)25)21-8-10-23(11-9-21)29-14-12-28(2)13-15-29/h3-11,16-19H,12-15H2,1-2H3
InChIKeyBAFVWPJWJOEATK-UHFFFAOYSA-N
XLogP5.40
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine (CID 171512511) is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine is CC(c1ccccc1)c1coc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc12.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine?
The InChIKey is BAFVWPJWJOEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-19(20-6-4-3-5-7-20)24-18-30-25-16-22(17-27-26(24)25)21-8-10-23(11-9-21)29-14-12-28(2)13-15-29/h3-11,16-19H,12-15H2,1-2H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine?
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine has a molecular weight of 397.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-phenylethyl)furo[3,2-b]pyridine is sourced from PubChem (CID 171512511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).