4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one

C24H23ClN6O2 — CID 41189361

IUPAC4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C24H23ClN6O2/c1-17(22-27-28-23(33-22)18-8-4-2-5-9-18)29-12-14-30(15-13-29)20-16-26-31(24(32)21(20)25)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3/t17-/m0/s1
InChIKeyQSVSRLSIRTUJEA-KRWDZBQOSA-N
MW462.94 g/mol
LogP3.82
Rot. Bonds5

About 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 41189361) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
PubChem CID41189361
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C24H23ClN6O2/c1-17(22-27-28-23(33-22)18-8-4-2-5-9-18)29-12-14-30(15-13-29)20-16-26-31(24(32)21(20)25)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3/t17-/m0/s1
InChIKeyQSVSRLSIRTUJEA-KRWDZBQOSA-N
XLogP3.82
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]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 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one (CID 41189361) is 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one is C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is QSVSRLSIRTUJEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-17(22-27-28-23(33-22)18-8-4-2-5-9-18)29-12-14-30(15-13-29)20-16-26-31(24(32)21(20)25)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3/t17-/m0/s1.
What are the key properties of 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 462.94 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 41189361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).