methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate

C17H19FN4O3 — CID 11348546

IUPACmethyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C17H19FN4O3/c1-25-17(24)12-22-16(23)7-6-15(19-22)21-10-8-20(9-11-21)14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3
InChIKeyUVIJMWJSOSQEHY-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.88
Rot. Bonds4

About methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate

methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate (PubChem CID 11348546) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate
PubChem CID11348546
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Namemethyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C17H19FN4O3/c1-25-17(24)12-22-16(23)7-6-15(19-22)21-10-8-20(9-11-21)14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3
InChIKeyUVIJMWJSOSQEHY-UHFFFAOYSA-N
XLogP0.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate (CID 11348546) is methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate is COC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate?
The InChIKey is UVIJMWJSOSQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-25-17(24)12-22-16(23)7-6-15(19-22)21-10-8-20(9-11-21)14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3.
What are the key properties of methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate?
methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate has a molecular weight of 346.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 11348546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).