N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide

C20H22ClF3N6O3 — CID 172905745

IUPACN-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(c3cnn(CC(F)(F)F)c(=O)c3Cl)CC2)c1
InChIInChI=1S/C20H22ClF3N6O3/c1-13(31)26-14-3-2-4-15(9-14)27-17(32)11-28-5-7-29(8-6-28)16-10-25-30(12-20(22,23)24)19(33)18(16)21/h2-4,9-10H,5-8,11-12H2,1H3,(H,26,31)(H,27,32)
InChIKeyAIUJKGHITZUQCC-UHFFFAOYSA-N
MW486.88 g/mol
LogP2.18
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide

N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide (PubChem CID 172905745) has the molecular formula C20H22ClF3N6O3 and a molecular weight of 486.88 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide
PubChem CID172905745
Molecular FormulaC20H22ClF3N6O3
Molecular Weight486.88 g/mol
Exact Mass486.14
IUPAC NameN-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(c3cnn(CC(F)(F)F)c(=O)c3Cl)CC2)c1
InChIInChI=1S/C20H22ClF3N6O3/c1-13(31)26-14-3-2-4-15(9-14)27-17(32)11-28-5-7-29(8-6-28)16-10-25-30(12-20(22,23)24)19(33)18(16)21/h2-4,9-10H,5-8,11-12H2,1H3,(H,26,31)(H,27,32)
InChIKeyAIUJKGHITZUQCC-UHFFFAOYSA-N
XLogP2.18
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.88
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide 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-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 172904733
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29108150
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417336
4-chloro-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 171999391
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 56585217
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
methyl 2-[4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]acetate
CID 16763812
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
CID 100665806
N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268817

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide (CID 172905745) is N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cnn(CC(F)(F)F)c(=O)c3Cl)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide?
The InChIKey is AIUJKGHITZUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N6O3/c1-13(31)26-14-3-2-4-15(9-14)27-17(32)11-28-5-7-29(8-6-28)16-10-25-30(12-20(22,23)24)19(33)18(16)21/h2-4,9-10H,5-8,11-12H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 486.88 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 172905745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).