5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one

C21H28N4O4 — CID 71830838

IUPAC5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCN(C)CC3)c(=O)cc2OC)cc1
InChIInChI=1S/C21H28N4O4/c1-23-11-13-24(14-12-23)19(26)5-4-10-25-20(27)15-18(29-3)21(22-25)16-6-8-17(28-2)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyVNIARCYRJJUNMB-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.48
Rot. Bonds7

About 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one

5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one (PubChem CID 71830838) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
PubChem CID71830838
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCN(C)CC3)c(=O)cc2OC)cc1
InChIInChI=1S/C21H28N4O4/c1-23-11-13-24(14-12-23)19(26)5-4-10-25-20(27)15-18(29-3)21(22-25)16-6-8-17(28-2)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyVNIARCYRJJUNMB-UHFFFAOYSA-N
XLogP1.48
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
CID 71830824
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830816
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513119
6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
CID 16885349
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one (CID 71830838) is 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one is COc1ccc(-c2nn(CCCC(=O)N3CCN(C)CC3)c(=O)cc2OC)cc1.
What is the InChIKey of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one?
The InChIKey is VNIARCYRJJUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-23-11-13-24(14-12-23)19(26)5-4-10-25-20(27)15-18(29-3)21(22-25)16-6-8-17(28-2)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one?
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one has a molecular weight of 400.48 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 71830838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).