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

C24H29N5O2 — CID 10916771

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C24H29N5O2/c1-27-24(30)21(18-20(26-27)19-8-4-3-5-9-19)25-12-13-28-14-16-29(17-15-28)22-10-6-7-11-23(22)31-2/h3-11,18,25H,12-17H2,1-2H3
InChIKeyCYGUSDVXGIEDMH-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.69
Rot. Bonds7

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

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 10916771) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID10916771
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C24H29N5O2/c1-27-24(30)21(18-20(26-27)19-8-4-3-5-9-19)25-12-13-28-14-16-29(17-15-28)22-10-6-7-11-23(22)31-2/h3-11,18,25H,12-17H2,1-2H3
InChIKeyCYGUSDVXGIEDMH-UHFFFAOYSA-N
XLogP2.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
N'-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)-2-(2-methoxyanilino)acetohydrazide
CID 9695436
3-(4-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 9827991
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-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10928520
3-(2-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 10940279
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
3-(2-methoxyphenyl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)acrylamide
CID 10949917
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10994812
3-(4-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11091160

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 10916771) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is CYGUSDVXGIEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-27-24(30)21(18-20(26-27)19-8-4-3-5-9-19)25-12-13-28-14-16-29(17-15-28)22-10-6-7-11-23(22)31-2/h3-11,18,25H,12-17H2,1-2H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10916771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).