6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C24H26N4O4 — CID 52902771

IUPAC6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C24H26N4O4/c1-31-19-7-5-6-18(16-19)20-10-11-23(29)28(25-20)17-24(30)27-14-12-26(13-15-27)21-8-3-4-9-22(21)32-2/h3-11,16H,12-15,17H2,1-2H3
InChIKeyPIIIXYCYBCOAOE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.28
Rot. Bonds6

About 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 52902771) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID52902771
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C24H26N4O4/c1-31-19-7-5-6-18(16-19)20-10-11-23(29)28(25-20)17-24(30)27-14-12-26(13-15-27)21-8-3-4-9-22(21)32-2/h3-11,16H,12-15,17H2,1-2H3
InChIKeyPIIIXYCYBCOAOE-UHFFFAOYSA-N
XLogP2.28
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55824562

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 52902771) is 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is PIIIXYCYBCOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-19-7-5-6-18(16-19)20-10-11-23(29)28(25-20)17-24(30)27-14-12-26(13-15-27)21-8-3-4-9-22(21)32-2/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 434.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 52902771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).