2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C22H22ClN5O2 — CID 121058496

IUPAC2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C22H22ClN5O2/c1-16(30-20-8-3-2-6-17(20)23)22(29)28-14-12-27(13-15-28)21-10-9-19(25-26-21)18-7-4-5-11-24-18/h2-11,16H,12-15H2,1H3
InChIKeySSZCQKCZVPZYQM-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 121058496) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID121058496
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C22H22ClN5O2/c1-16(30-20-8-3-2-6-17(20)23)22(29)28-14-12-27(13-15-28)21-10-9-19(25-26-21)18-7-4-5-11-24-18/h2-11,16H,12-15H2,1H3
InChIKeySSZCQKCZVPZYQM-UHFFFAOYSA-N
XLogP3.31
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058388
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
(2S)-2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 40599258
(2R)-2-(2,5-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42561175
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 121058496) is 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SSZCQKCZVPZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-16(30-20-8-3-2-6-17(20)23)22(29)28-14-12-27(13-15-28)21-10-9-19(25-26-21)18-7-4-5-11-24-18/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 423.90 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121058496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).