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

C26H26N4O — CID 22115705

IUPAC5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cnnc(-c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O/c1-29-12-14-30(15-13-29)26-9-5-8-21-10-11-23(17-24(21)26)31-19-20-16-25(28-27-18-20)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19H2,1H3
InChIKeyJTFCEEQYZVJLGH-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.63
Rot. Bonds5

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

5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine (PubChem CID 22115705) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine.

Molecular Properties

Compound Name5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine
PubChem CID22115705
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(OCc4cnnc(-c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O/c1-29-12-14-30(15-13-29)26-9-5-8-21-10-11-23(17-24(21)26)31-19-20-16-25(28-27-18-20)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19H2,1H3
InChIKeyJTFCEEQYZVJLGH-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine?
The IUPAC name of 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine (CID 22115705) is 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine.
What is the SMILES notation for 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine?
The canonical SMILES for 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine is CN1CCN(c2cccc3ccc(OCc4cnnc(-c5ccccc5)c4)cc23)CC1.
What is the InChIKey of 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine?
The InChIKey is JTFCEEQYZVJLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-29-12-14-30(15-13-29)26-9-5-8-21-10-11-23(17-24(21)26)31-19-20-16-25(28-27-18-20)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19H2,1H3.
What are the key properties of 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine?
5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine 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 5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine is sourced from PubChem (CID 22115705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).