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

C22H23N5O2 — CID 52992436

IUPAC2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H23N5O2/c1-17(29-19-7-3-2-4-8-19)22(28)27-14-12-26(13-15-27)21-10-9-20(24-25-21)18-6-5-11-23-16-18/h2-11,16-17H,12-15H2,1H3
InChIKeyXUADUUSMZOPBSW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.65
Rot. Bonds5

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

2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 52992436) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID52992436
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H23N5O2/c1-17(29-19-7-3-2-4-8-19)22(28)27-14-12-26(13-15-27)21-10-9-20(24-25-21)18-6-5-11-23-16-18/h2-11,16-17H,12-15H2,1H3
InChIKeyXUADUUSMZOPBSW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058388
(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
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
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
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
(2S)-2-phenoxy-1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]propan-1-one
CID 100753018

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 52992436) is 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XUADUUSMZOPBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-17(29-19-7-3-2-4-8-19)22(28)27-14-12-26(13-15-27)21-10-9-20(24-25-21)18-6-5-11-23-16-18/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52992436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).