2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one

C22H23Cl2N5O2 — CID 134131272

IUPAC2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCN(c3ccccn3)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H23Cl2N5O2/c23-18-6-5-17(16-19(18)24)29-22(30)8-7-21(26-29)31-15-3-10-27-11-13-28(14-12-27)20-4-1-2-9-25-20/h1-2,4-9,16H,3,10-15H2
InChIKeyAFXWVOVMMKFRCZ-UHFFFAOYSA-N
MW460.37 g/mol
LogP3.53
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one

2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one (PubChem CID 134131272) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one
PubChem CID134131272
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCN(c3ccccn3)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H23Cl2N5O2/c23-18-6-5-17(16-19(18)24)29-22(30)8-7-21(26-29)31-15-3-10-27-11-13-28(14-12-27)20-4-1-2-9-25-20/h1-2,4-9,16H,3,10-15H2
InChIKeyAFXWVOVMMKFRCZ-UHFFFAOYSA-N
XLogP3.53
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one (CID 134131272) is 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one is O=c1ccc(OCCCN2CCN(c3ccccn3)CC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one?
The InChIKey is AFXWVOVMMKFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c23-18-6-5-17(16-19(18)24)29-22(30)8-7-21(26-29)31-15-3-10-27-11-13-28(14-12-27)20-4-1-2-9-25-20/h1-2,4-9,16H,3,10-15H2.
What are the key properties of 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one?
2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one has a molecular weight of 460.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one is sourced from PubChem (CID 134131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).