5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine

C26H25ClN4O — CID 22115683

IUPAC5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cc(-c5ccc(Cl)cc5)cnn4)cc23)CC1
InChIInChI=1S/C26H25ClN4O/c1-30-11-13-31(14-12-30)26-4-2-3-20-7-10-24(16-25(20)26)32-18-23-15-21(17-28-29-23)19-5-8-22(27)9-6-19/h2-10,15-17H,11-14,18H2,1H3
InChIKeySLVOUWNTXGCZII-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.28
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine

5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine (PubChem CID 22115683) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
PubChem CID22115683
Molecular FormulaC26H25ClN4O
Molecular Weight444.97 g/mol
Exact Mass444.17
IUPAC Name5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cc(-c5ccc(Cl)cc5)cnn4)cc23)CC1
InChIInChI=1S/C26H25ClN4O/c1-30-11-13-31(14-12-30)26-4-2-3-20-7-10-24(16-25(20)26)32-18-23-15-21(17-28-29-23)19-5-8-22(27)9-6-19/h2-10,15-17H,11-14,18H2,1H3
InChIKeySLVOUWNTXGCZII-UHFFFAOYSA-N
XLogP5.28
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The IUPAC name of 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine (CID 22115683) is 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine is CN1CCN(c2cccc3ccc(OCc4cc(-c5ccc(Cl)cc5)cnn4)cc23)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The InChIKey is SLVOUWNTXGCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c1-30-11-13-31(14-12-30)26-4-2-3-20-7-10-24(16-25(20)26)32-18-23-15-21(17-28-29-23)19-5-8-22(27)9-6-19/h2-10,15-17H,11-14,18H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine has a molecular weight of 444.97 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine is sourced from PubChem (CID 22115683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).