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

C24H26N4O4 — CID 3315092

IUPAC6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-19-9-7-18(8-10-19)20-11-12-23(29)28(25-20)17-24(30)27-15-13-26(14-16-27)21-5-3-4-6-22(21)32-2/h3-12H,13-17H2,1-2H3
InChIKeyUTCPHCSSXGMUTH-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.28
Rot. Bonds6

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

6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 3315092) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID3315092
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-19-9-7-18(8-10-19)20-11-12-23(29)28(25-20)17-24(30)27-15-13-26(14-16-27)21-5-3-4-6-22(21)32-2/h3-12H,13-17H2,1-2H3
InChIKeyUTCPHCSSXGMUTH-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 3315092) is 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is UTCPHCSSXGMUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-19-9-7-18(8-10-19)20-11-12-23(29)28(25-20)17-24(30)27-15-13-26(14-16-27)21-5-3-4-6-22(21)32-2/h3-12H,13-17H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-(4-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-(4-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 3315092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).