5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one

C22H27ClN6O2 — CID 46551330

IUPAC5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H27ClN6O2/c1-15(19-25-21(26-31-19)22(2,3)4)27-10-12-28(13-11-27)17-14-24-29(20(30)18(17)23)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyLNTJIEAMPPZWED-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.45
Rot. Bonds4

About 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one

5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one (PubChem CID 46551330) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
PubChem CID46551330
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC Name5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H27ClN6O2/c1-15(19-25-21(26-31-19)22(2,3)4)27-10-12-28(13-11-27)17-14-24-29(20(30)18(17)23)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyLNTJIEAMPPZWED-UHFFFAOYSA-N
XLogP3.45
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-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

Related Compounds

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
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387328
4-chloro-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26044700
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 26451386
(2R)-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 41255460
[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46568147

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one (CID 46551330) is 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one is CC(c1nc(C(C)(C)C)no1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one?
The InChIKey is LNTJIEAMPPZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-15(19-25-21(26-31-19)22(2,3)4)27-10-12-28(13-11-27)17-14-24-29(20(30)18(17)23)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one?
5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one has a molecular weight of 442.95 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 46551330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).