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

C24H28ClN5O2 — CID 10928520

IUPAC4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C24H28ClN5O2/c1-28-24(31)21(17-20(27-28)18-6-4-3-5-7-18)26-10-11-29-12-14-30(15-13-29)22-16-19(25)8-9-23(22)32-2/h3-9,16-17,26H,10-15H2,1-2H3
InChIKeyBJGCUGXZSIBUBN-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.34
Rot. Bonds7

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

4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 10928520) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID10928520
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C24H28ClN5O2/c1-28-24(31)21(17-20(27-28)18-6-4-3-5-7-18)26-10-11-29-12-14-30(15-13-29)22-16-19(25)8-9-23(22)32-2/h3-9,16-17,26H,10-15H2,1-2H3
InChIKeyBJGCUGXZSIBUBN-UHFFFAOYSA-N
XLogP3.34
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one with MolForge

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Related Compounds

4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
CID 10005161
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10916771
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10917316
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10994812
5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11092254
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)-1-phenylprop-2-enylidene]amino]acetamide
CID 162667149
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2685495

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 10928520) is 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is BJGCUGXZSIBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-28-24(31)21(17-20(27-28)18-6-4-3-5-7-18)26-10-11-29-12-14-30(15-13-29)22-16-19(25)8-9-23(22)32-2/h3-9,16-17,26H,10-15H2,1-2H3.
What are the key properties of 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 453.97 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10928520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).