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

C22H23N5O2 — CID 121060095

IUPAC1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)COc3cccnc3)CC2)nn1
InChIInChI=1S/C22H23N5O2/c1-17-5-2-3-7-19(17)20-8-9-21(25-24-20)26-11-13-27(14-12-26)22(28)16-29-18-6-4-10-23-15-18/h2-10,15H,11-14,16H2,1H3
InChIKeyLFTZCIXPULVGLT-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.57
Rot. Bonds5

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

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 121060095) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID121060095
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)COc3cccnc3)CC2)nn1
InChIInChI=1S/C22H23N5O2/c1-17-5-2-3-7-19(17)20-8-9-21(25-24-20)26-11-13-27(14-12-26)22(28)16-29-18-6-4-10-23-15-18/h2-10,15H,11-14,16H2,1H3
InChIKeyLFTZCIXPULVGLT-UHFFFAOYSA-N
XLogP2.57
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121060009
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121113859
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
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
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone (CID 121060095) is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone is Cc1ccccc1-c1ccc(N2CCN(C(=O)COc3cccnc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is LFTZCIXPULVGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-17-5-2-3-7-19(17)20-8-9-21(25-24-20)26-11-13-27(14-12-26)22(28)16-29-18-6-4-10-23-15-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 389.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 121060095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).