5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one

C22H20BrClN4O3 — CID 58585206

IUPAC5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C22H20BrClN4O3/c1-15(29)26-10-12-27(13-11-26)20-14-25-28(18-6-4-17(24)5-7-18)22(30)21(20)31-19-8-2-16(23)3-9-19/h2-9,14H,10-13H2,1H3
InChIKeyVKEIFHNSWRPSCP-UHFFFAOYSA-N
MW503.78 g/mol
LogP4.11
Rot. Bonds4

About 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one

5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 58585206) has the molecular formula C22H20BrClN4O3 and a molecular weight of 503.78 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID58585206
Molecular FormulaC22H20BrClN4O3
Molecular Weight503.78 g/mol
Exact Mass502.04
IUPAC Name5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C22H20BrClN4O3/c1-15(29)26-10-12-27(13-11-26)20-14-25-28(18-6-4-17(24)5-7-18)22(30)21(20)31-19-8-2-16(23)3-9-19/h2-9,14H,10-13H2,1H3
InChIKeyVKEIFHNSWRPSCP-UHFFFAOYSA-N
XLogP4.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.78
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one (CID 58585206) is 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one is CC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is VKEIFHNSWRPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN4O3/c1-15(29)26-10-12-27(13-11-26)20-14-25-28(18-6-4-17(24)5-7-18)22(30)21(20)31-19-8-2-16(23)3-9-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one?
5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 503.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-4-(4-bromophenoxy)-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 58585206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).