3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine

C25H24N4O — CID 22115602

IUPAC3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)cc23)CC1
InChIInChI=1S/C25H24N4O/c1-28-14-16-29(17-15-28)24-9-5-8-19-10-11-21(18-22(19)24)30-25-13-12-23(26-27-25)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3
InChIKeyYIXBJZWPBNPPDO-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.84
Rot. Bonds4

About 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine

3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine (PubChem CID 22115602) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine.

Molecular Properties

Compound Name3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
PubChem CID22115602
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)cc23)CC1
InChIInChI=1S/C25H24N4O/c1-28-14-16-29(17-15-28)24-9-5-8-19-10-11-21(18-22(19)24)30-25-13-12-23(26-27-25)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3
InChIKeyYIXBJZWPBNPPDO-UHFFFAOYSA-N
XLogP4.84
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The IUPAC name of 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine (CID 22115602) is 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine.
What is the SMILES notation for 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The canonical SMILES for 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine is CN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)cc23)CC1.
What is the InChIKey of 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The InChIKey is YIXBJZWPBNPPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-28-14-16-29(17-15-28)24-9-5-8-19-10-11-21(18-22(19)24)30-25-13-12-23(26-27-25)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3.
What are the key properties of 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine has a molecular weight of 396.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine is sourced from PubChem (CID 22115602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).