1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone

C27H26N4O2 — CID 121060009

IUPAC1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C27H26N4O2/c1-20-6-2-5-9-24(20)25-12-13-26(29-28-25)30-14-16-31(17-15-30)27(32)19-33-23-11-10-21-7-3-4-8-22(21)18-23/h2-13,18H,14-17,19H2,1H3
InChIKeyIFXCNJGFFOWGBC-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.33
Rot. Bonds5

About 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 121060009) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID121060009
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C27H26N4O2/c1-20-6-2-5-9-24(20)25-12-13-26(29-28-25)30-14-16-31(17-15-30)27(32)19-33-23-11-10-21-7-3-4-8-22(21)18-23/h2-13,18H,14-17,19H2,1H3
InChIKeyIFXCNJGFFOWGBC-UHFFFAOYSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121060095
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121106826
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 43982820
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone (CID 121060009) is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone is Cc1ccccc1-c1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is IFXCNJGFFOWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-20-6-2-5-9-24(20)25-12-13-26(29-28-25)30-14-16-31(17-15-30)27(32)19-33-23-11-10-21-7-3-4-8-22(21)18-23/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 438.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 121060009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).