2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine

C24H26N4O — CID 126961681

IUPAC2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine
SMILESCn1cccc1/C=C/C1CC(/C=C/c2ccc(OCc3ccccn3)cc2)NN1
InChIInChI=1S/C24H26N4O/c1-28-16-4-6-23(28)12-11-21-17-20(26-27-21)10-7-19-8-13-24(14-9-19)29-18-22-5-2-3-15-25-22/h2-16,20-21,26-27H,17-18H2,1H3/b10-7+,12-11+
InChIKeyNJYHYAZKOIYKOQ-OFJXCKHESA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds7

About 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine

2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine (PubChem CID 126961681) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine
PubChem CID126961681
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine
SMILESCn1cccc1/C=C/C1CC(/C=C/c2ccc(OCc3ccccn3)cc2)NN1
InChIInChI=1S/C24H26N4O/c1-28-16-4-6-23(28)12-11-21-17-20(26-27-21)10-7-19-8-13-24(14-9-19)29-18-22-5-2-3-15-25-22/h2-16,20-21,26-27H,17-18H2,1H3/b10-7+,12-11+
InChIKeyNJYHYAZKOIYKOQ-OFJXCKHESA-N
XLogP3.96
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine (CID 126961681) is 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine is Cn1cccc1/C=C/C1CC(/C=C/c2ccc(OCc3ccccn3)cc2)NN1.
What is the InChIKey of 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine?
The InChIKey is NJYHYAZKOIYKOQ-OFJXCKHESA-N. The full InChI is InChI=1S/C24H26N4O/c1-28-16-4-6-23(28)12-11-21-17-20(26-27-21)10-7-19-8-13-24(14-9-19)29-18-22-5-2-3-15-25-22/h2-16,20-21,26-27H,17-18H2,1H3/b10-7+,12-11+.
What are the key properties of 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine?
2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine has a molecular weight of 386.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-[5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazolidin-3-yl]ethenyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 126961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).