2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine

C26H28N4O2 — CID 126961684

IUPAC2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine
SMILESCOc1cc(OCc2ccccn2)ccc1/C=C/C1CC(/C=C/c2cccc(C)n2)NN1
InChIInChI=1S/C26H28N4O2/c1-19-6-5-8-21(28-19)12-13-23-16-22(29-30-23)11-9-20-10-14-25(17-26(20)31-2)32-18-24-7-3-4-15-27-24/h3-15,17,22-23,29-30H,16,18H2,1-2H3/b11-9+,13-12+
InChIKeyNENUSUFYDSOMFO-GNDASISDSA-N
MW428.54 g/mol
LogP4.33
Rot. Bonds8

About 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine

2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine (PubChem CID 126961684) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine
PubChem CID126961684
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine
SMILESCOc1cc(OCc2ccccn2)ccc1/C=C/C1CC(/C=C/c2cccc(C)n2)NN1
InChIInChI=1S/C26H28N4O2/c1-19-6-5-8-21(28-19)12-13-23-16-22(29-30-23)11-9-20-10-14-25(17-26(20)31-2)32-18-24-7-3-4-15-27-24/h3-15,17,22-23,29-30H,16,18H2,1-2H3/b11-9+,13-12+
InChIKeyNENUSUFYDSOMFO-GNDASISDSA-N
XLogP4.33
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine?
The IUPAC name of 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine (CID 126961684) is 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine is COc1cc(OCc2ccccn2)ccc1/C=C/C1CC(/C=C/c2cccc(C)n2)NN1.
What is the InChIKey of 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine?
The InChIKey is NENUSUFYDSOMFO-GNDASISDSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-6-5-8-21(28-19)12-13-23-16-22(29-30-23)11-9-20-10-14-25(17-26(20)31-2)32-18-24-7-3-4-15-27-24/h3-15,17,22-23,29-30H,16,18H2,1-2H3/b11-9+,13-12+.
What are the key properties of 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine?
2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine has a molecular weight of 428.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-6-methylpyridine is sourced from PubChem (CID 126961684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).