6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

C24H26N4O2 — CID 7658862

IUPAC6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-19-8-10-20(11-9-19)22-12-13-23(29)28(25-22)18-24(30)27-16-14-26(15-17-27)21-6-4-3-5-7-21/h3-13H,2,14-18H2,1H3
InChIKeyYDQJEKJZSGHRSQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.82
Rot. Bonds5

About 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 7658862) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID7658862
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-19-8-10-20(11-9-19)22-12-13-23(29)28(25-22)18-24(30)27-16-14-26(15-17-27)21-6-4-3-5-7-21/h3-13H,2,14-18H2,1H3
InChIKeyYDQJEKJZSGHRSQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 7658862) is 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is YDQJEKJZSGHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-19-8-10-20(11-9-19)22-12-13-23(29)28(25-22)18-24(30)27-16-14-26(15-17-27)21-6-4-3-5-7-21/h3-13H,2,14-18H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 7658862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).