5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H18F2N4O3 — CID 29219979

IUPAC5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1=O
InChIInChI=1S/C17H18F2N4O3/c1-21-16(24)9-13(10-20-21)22-4-6-23(7-5-22)17(25)11-26-15-3-2-12(18)8-14(15)19/h2-3,8-10H,4-7,11H2,1H3
InChIKeyPZFHILDZONNYQU-UHFFFAOYSA-N
MW364.35 g/mol
LogP0.79
Rot. Bonds4

About 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 29219979) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID29219979
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1=O
InChIInChI=1S/C17H18F2N4O3/c1-21-16(24)9-13(10-20-21)22-4-6-23(7-5-22)17(25)11-26-15-3-2-12(18)8-14(15)19/h2-3,8-10H,4-7,11H2,1H3
InChIKeyPZFHILDZONNYQU-UHFFFAOYSA-N
XLogP0.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 29219979) is 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1=O.
What is the InChIKey of 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is PZFHILDZONNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-21-16(24)9-13(10-20-21)22-4-6-23(7-5-22)17(25)11-26-15-3-2-12(18)8-14(15)19/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 364.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 29219979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).