3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one

C17H20FN3O2 — CID 23371569

IUPAC3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C2=CCN(CC(O)c3ccc(F)cc3)CC2)=NN1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-13(2-4-14)16(22)11-21-9-7-12(8-10-21)15-5-6-17(23)20-19-15/h1-4,7,16,22H,5-6,8-11H2,(H,20,23)
InChIKeyWBJIHRUJQAQVJG-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.76
Rot. Bonds4

About 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23371569) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23371569
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C2=CCN(CC(O)c3ccc(F)cc3)CC2)=NN1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-13(2-4-14)16(22)11-21-9-7-12(8-10-21)15-5-6-17(23)20-19-15/h1-4,7,16,22H,5-6,8-11H2,(H,20,23)
InChIKeyWBJIHRUJQAQVJG-UHFFFAOYSA-N
XLogP1.76
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-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 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 23371569) is 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C2=CCN(CC(O)c3ccc(F)cc3)CC2)=NN1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WBJIHRUJQAQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-1-13(2-4-14)16(22)11-21-9-7-12(8-10-21)15-5-6-17(23)20-19-15/h1-4,7,16,22H,5-6,8-11H2,(H,20,23).
What are the key properties of 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 317.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23371569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).