2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C21H21ClN4O3 — CID 121058727

IUPAC2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H21ClN4O3/c1-15(29-17-5-2-4-16(22)14-17)21(27)26-11-9-25(10-12-26)20-8-7-18(23-24-20)19-6-3-13-28-19/h2-8,13-15H,9-12H2,1H3
InChIKeyOYBGACDPEVYPCE-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.51
Rot. Bonds5

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

2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121058727) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID121058727
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H21ClN4O3/c1-15(29-17-5-2-4-16(22)14-17)21(27)26-11-9-25(10-12-26)20-8-7-18(23-24-20)19-6-3-13-28-19/h2-8,13-15H,9-12H2,1H3
InChIKeyOYBGACDPEVYPCE-UHFFFAOYSA-N
XLogP3.51
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121058727) is 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is OYBGACDPEVYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-15(29-17-5-2-4-16(22)14-17)21(27)26-11-9-25(10-12-26)20-8-7-18(23-24-20)19-6-3-13-28-19/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 412.88 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121058727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).