6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one

C23H24F2N4O2 — CID 10113241

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CN3CCNCC3)c(=O)n(Cc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C23H24F2N4O2/c1-31-22-7-4-17(12-20(22)25)21-13-18(15-28-10-8-26-9-11-28)23(30)29(27-21)14-16-2-5-19(24)6-3-16/h2-7,12-13,26H,8-11,14-15H2,1H3
InChIKeyDFZGCZVYWUFZSV-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.65
Rot. Bonds6

About 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one

6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one (PubChem CID 10113241) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one
PubChem CID10113241
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CN3CCNCC3)c(=O)n(Cc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C23H24F2N4O2/c1-31-22-7-4-17(12-20(22)25)21-13-18(15-28-10-8-26-9-11-28)23(30)29(27-21)14-16-2-5-19(24)6-3-16/h2-7,12-13,26H,8-11,14-15H2,1H3
InChIKeyDFZGCZVYWUFZSV-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one (CID 10113241) is 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one is COc1ccc(-c2cc(CN3CCNCC3)c(=O)n(Cc3ccc(F)cc3)n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The InChIKey is DFZGCZVYWUFZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-31-22-7-4-17(12-20(22)25)21-13-18(15-28-10-8-26-9-11-28)23(30)29(27-21)14-16-2-5-19(24)6-3-16/h2-7,12-13,26H,8-11,14-15H2,1H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one?
6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one has a molecular weight of 426.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 10113241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).