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

C26H30ClN5O3 — CID 11092254

IUPAC5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
InChIKeyIOWGBMSSVZVFKH-UHFFFAOYSA-N
MW496.01 g/mol
LogP3.55
Rot. Bonds8

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

5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 11092254) has the molecular formula C26H30ClN5O3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID11092254
Molecular FormulaC26H30ClN5O3
Molecular Weight496.01 g/mol
Exact Mass495.20
IUPAC Name5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
InChIKeyIOWGBMSSVZVFKH-UHFFFAOYSA-N
XLogP3.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-acetyl-4-[4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]butylamino]-2,6-dimethylpyridazin-3-one
CID 11145007
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one
CID 10074286
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxamide
CID 19795852
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
methyl 5-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate
CID 19934797
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 11092254) is 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is IOWGBMSSVZVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3.
What are the key properties of 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 496.01 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 11092254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).