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

C22H22ClN5O2 — CID 121058388

IUPAC2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H22ClN5O2/c1-16(30-20-7-3-2-6-18(20)23)22(29)28-13-11-27(12-14-28)21-9-8-19(25-26-21)17-5-4-10-24-15-17/h2-10,15-16H,11-14H2,1H3
InChIKeyHDYSOTNTXFQGEW-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.31
Rot. Bonds5

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

2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 121058388) 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-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID121058388
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H22ClN5O2/c1-16(30-20-7-3-2-6-18(20)23)22(29)28-13-11-27(12-14-28)21-9-8-19(25-26-21)17-5-4-10-24-15-17/h2-10,15-16H,11-14H2,1H3
InChIKeyHDYSOTNTXFQGEW-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-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058496
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
CID 16733177
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
2-(2,4-dichlorophenoxy)-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 90516605
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 121058388) is 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is HDYSOTNTXFQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-16(30-20-7-3-2-6-18(20)23)22(29)28-13-11-27(12-14-28)21-9-8-19(25-26-21)17-5-4-10-24-15-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-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-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121058388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).