5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one

C25H27FN4O3 — CID 24821103

IUPAC5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one
SMILESCCc1cc(Cc2ccc(F)c(C(=O)N3CCC(OCc4ccccn4)CC3)c2)n[nH]c1=O
InChIInChI=1S/C25H27FN4O3/c1-2-18-15-20(28-29-24(18)31)13-17-6-7-23(26)22(14-17)25(32)30-11-8-21(9-12-30)33-16-19-5-3-4-10-27-19/h3-7,10,14-15,21H,2,8-9,11-13,16H2,1H3,(H,29,31)
InChIKeyXZVXZAZPDXUYCT-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.28
Rot. Bonds7

About 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one

5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one (PubChem CID 24821103) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one
PubChem CID24821103
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one
SMILESCCc1cc(Cc2ccc(F)c(C(=O)N3CCC(OCc4ccccn4)CC3)c2)n[nH]c1=O
InChIInChI=1S/C25H27FN4O3/c1-2-18-15-20(28-29-24(18)31)13-17-6-7-23(26)22(14-17)25(32)30-11-8-21(9-12-30)33-16-19-5-3-4-10-27-19/h3-7,10,14-15,21H,2,8-9,11-13,16H2,1H3,(H,29,31)
InChIKeyXZVXZAZPDXUYCT-UHFFFAOYSA-N
XLogP3.28
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one (CID 24821103) is 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one is CCc1cc(Cc2ccc(F)c(C(=O)N3CCC(OCc4ccccn4)CC3)c2)n[nH]c1=O.
What is the InChIKey of 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one?
The InChIKey is XZVXZAZPDXUYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-2-18-15-20(28-29-24(18)31)13-17-6-7-23(26)22(14-17)25(32)30-11-8-21(9-12-30)33-16-19-5-3-4-10-27-19/h3-7,10,14-15,21H,2,8-9,11-13,16H2,1H3,(H,29,31).
What are the key properties of 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one?
5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one has a molecular weight of 450.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[4-fluoro-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24821103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).