2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C22H30N6O2 — CID 122336416

IUPAC2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1
InChIInChI=1S/C22H30N6O2/c1-25-9-11-26(12-10-25)20-7-8-21(24-23-20)27-13-15-28(16-14-27)22(29)17-18-5-3-4-6-19(18)30-2/h3-8H,9-17H2,1-2H3
InChIKeySCSBFUQUOSGNFB-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.13
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122336416) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122336416
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1
InChIInChI=1S/C22H30N6O2/c1-25-9-11-26(12-10-25)20-7-8-21(24-23-20)27-13-15-28(16-14-27)22(29)17-18-5-3-4-6-19(18)30-2/h3-8H,9-17H2,1-2H3
InChIKeySCSBFUQUOSGNFB-UHFFFAOYSA-N
XLogP1.13
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
2-(2-methoxyphenyl)-1-[4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone
CID 162386535
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
1-[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methoxyphenyl)ethanone
CID 146080476
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122336416) is 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is SCSBFUQUOSGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-25-9-11-26(12-10-25)20-7-8-21(24-23-20)27-13-15-28(16-14-27)22(29)17-18-5-3-4-6-19(18)30-2/h3-8H,9-17H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 410.52 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122336416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).