5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one

C25H28ClN5O2 — CID 11134424

IUPAC5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
InChIKeyLZZIGVORZVSTNT-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.54
Rot. Bonds7

About 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one

5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 11134424) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID11134424
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
InChIKeyLZZIGVORZVSTNT-UHFFFAOYSA-N
XLogP3.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 11134424) is 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is LZZIGVORZVSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3.
What are the key properties of 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 465.99 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 11134424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).