6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one

C22H22ClN5O2 — CID 3237363

IUPAC6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-18-6-4-17(5-7-18)19-8-9-22(30)28(25-19)12-10-21(29)27-15-13-26(14-16-27)20-3-1-2-11-24-20/h1-9,11H,10,12-16H2
InChIKeyZPRNCXWXSIYVBY-UHFFFAOYSA-N
MW423.90 g/mol
LogP2.70
Rot. Bonds5

About 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one (PubChem CID 3237363) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one
PubChem CID3237363
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-18-6-4-17(5-7-18)19-8-9-22(30)28(25-19)12-10-21(29)27-15-13-26(14-16-27)20-3-1-2-11-24-20/h1-9,11H,10,12-16H2
InChIKeyZPRNCXWXSIYVBY-UHFFFAOYSA-N
XLogP2.70
TPSA71.33 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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one (CID 3237363) is 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is ZPRNCXWXSIYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-18-6-4-17(5-7-18)19-8-9-22(30)28(25-19)12-10-21(29)27-15-13-26(14-16-27)20-3-1-2-11-24-20/h1-9,11H,10,12-16H2.
What are the key properties of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 423.90 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 3237363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).