2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C26H30ClN5O2 — CID 55387328

IUPAC2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-29(4-2)26(34)24(20-11-7-5-8-12-20)31-17-15-30(16-18-31)22-19-28-32(25(33)23(22)27)21-13-9-6-10-14-21/h5-14,19,24H,3-4,15-18H2,1-2H3
InChIKeyVYMGAHPDSNWJEF-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.62
Rot. Bonds7

About 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 55387328) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID55387328
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-29(4-2)26(34)24(20-11-7-5-8-12-20)31-17-15-30(16-18-31)22-19-28-32(25(33)23(22)27)21-13-9-6-10-14-21/h5-14,19,24H,3-4,15-18H2,1-2H3
InChIKeyVYMGAHPDSNWJEF-UHFFFAOYSA-N
XLogP3.62
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide with MolForge

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Related Compounds

4-Chloro-2-(3-chlorophenyl)-5-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridazin-3-one
CID 1489598
N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
CID 44581972
N-[5-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-phenylbenzamide
CID 44581973
4-Chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 1091496
5-[4-(3-Bromobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 2209414
2-[2-[4-(4-Acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 40146401
4-Methyl-2-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethyl]-2H-phthalazin-1-one
CID 1080054
5-(4-Benzylsulfonylpiperazin-1-yl)-4-heptyl-2-phenylpyridazin-3-one
CID 53319680
2-Pyrazolin-5-one, 1,3-diphenyl-4-(4-methyl-1-piperazinylmethylene)-
CID 3038285
4-Chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 1284591
5-(4-Benzylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one
CID 2324202
5-(4-acetyl-1-piperazinyl)-4-chloro-2-phenyl-3(2H)-pyridazinone
CID 9279360

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 55387328) is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is VYMGAHPDSNWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-3-29(4-2)26(34)24(20-11-7-5-8-12-20)31-17-15-30(16-18-31)22-19-28-32(25(33)23(22)27)21-13-9-6-10-14-21/h5-14,19,24H,3-4,15-18H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 480.01 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 55387328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).