3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine

C23H26N4O — CID 59439163

IUPAC3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
SMILESc1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1
InChIInChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2
InChIKeyVDOSOZWWSAAGLC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.83
Rot. Bonds8

About 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine

3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine (PubChem CID 59439163) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine.

Molecular Properties

Compound Name3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
PubChem CID59439163
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
SMILESc1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1
InChIInChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2
InChIKeyVDOSOZWWSAAGLC-UHFFFAOYSA-N
XLogP3.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The IUPAC name of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine (CID 59439163) is 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine.
What is the SMILES notation for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The canonical SMILES for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine is c1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1.
What is the InChIKey of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The InChIKey is VDOSOZWWSAAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2.
What are the key properties of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine has a molecular weight of 374.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine is sourced from PubChem (CID 59439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).