3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine

C26H32N4O — CID 59439167

IUPAC3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine
SMILESCN1CCN(CCc2cccc(CCc3ccc(OCc4ccccc4)nn3)c2)CC1
InChIInChI=1S/C26H32N4O/c1-29-16-18-30(19-17-29)15-14-23-9-5-8-22(20-23)10-11-25-12-13-26(28-27-25)31-21-24-6-3-2-4-7-24/h2-9,12-13,20H,10-11,14-19,21H2,1H3
InChIKeyNFUOAASTDIMARD-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.63
Rot. Bonds9

About 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine

3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine (PubChem CID 59439167) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine.

Molecular Properties

Compound Name3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine
PubChem CID59439167
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine
SMILESCN1CCN(CCc2cccc(CCc3ccc(OCc4ccccc4)nn3)c2)CC1
InChIInChI=1S/C26H32N4O/c1-29-16-18-30(19-17-29)15-14-23-9-5-8-22(20-23)10-11-25-12-13-26(28-27-25)31-21-24-6-3-2-4-7-24/h2-9,12-13,20H,10-11,14-19,21H2,1H3
InChIKeyNFUOAASTDIMARD-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 59439140
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
1,4-dimethyl-7-[(6-phenoxypyridazin-3-yl)methyl]-1,4,7-triazonane
CID 136564268
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
3-[2-(4-methylpiperazin-1-yl)ethyl]benzaldehyde
CID 153054255
[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol
CID 69106383
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 172648016

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine?
The IUPAC name of 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine (CID 59439167) is 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine.
What is the SMILES notation for 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine?
The canonical SMILES for 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine is CN1CCN(CCc2cccc(CCc3ccc(OCc4ccccc4)nn3)c2)CC1.
What is the InChIKey of 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine?
The InChIKey is NFUOAASTDIMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-29-16-18-30(19-17-29)15-14-23-9-5-8-22(20-23)10-11-25-12-13-26(28-27-25)31-21-24-6-3-2-4-7-24/h2-9,12-13,20H,10-11,14-19,21H2,1H3.
What are the key properties of 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine?
3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine has a molecular weight of 416.57 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine is sourced from PubChem (CID 59439167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).