3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine

C26H26N4O — CID 174369516

IUPAC3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cccc(-c5cccnn5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O/c1-29-13-15-30(16-14-29)26-9-3-6-21-10-11-23(18-24(21)26)31-19-20-5-2-7-22(17-20)25-8-4-12-27-28-25/h2-12,17-18H,13-16,19H2,1H3
InChIKeyPSGYOEPUAODJLB-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.63
Rot. Bonds5

About 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine

3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine (PubChem CID 174369516) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine
PubChem CID174369516
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cccc(-c5cccnn5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O/c1-29-13-15-30(16-14-29)26-9-3-6-21-10-11-23(18-24(21)26)31-19-20-5-2-7-22(17-20)25-8-4-12-27-28-25/h2-12,17-18H,13-16,19H2,1H3
InChIKeyPSGYOEPUAODJLB-UHFFFAOYSA-N
XLogP4.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]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-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine?
The IUPAC name of 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine (CID 174369516) is 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine.
What is the SMILES notation for 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine?
The canonical SMILES for 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine is CN1CCN(c2cccc3ccc(OCc4cccc(-c5cccnn5)c4)cc23)CC1.
What is the InChIKey of 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine?
The InChIKey is PSGYOEPUAODJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-29-13-15-30(16-14-29)26-9-3-6-21-10-11-23(18-24(21)26)31-19-20-5-2-7-22(17-20)25-8-4-12-27-28-25/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine?
3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine has a molecular weight of 410.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine is sourced from PubChem (CID 174369516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).