5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one

C18H18F4N4O2 — CID 154825670

IUPAC5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESO=C1N=NC=C(N2Cc3cc(OC4CCNCC4)cc(F)c3C2)C1C(F)(F)F
InChIInChI=1S/C18H18F4N4O2/c19-14-6-12(28-11-1-3-23-4-2-11)5-10-8-26(9-13(10)14)15-7-24-25-17(27)16(15)18(20,21)22/h5-7,11,16,23H,1-4,8-9H2
InChIKeyUQUNLFJOOVEBOJ-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.28
Rot. Bonds3

About 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one

5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one (PubChem CID 154825670) has the molecular formula C18H18F4N4O2 and a molecular weight of 398.36 g/mol. Its IUPAC name is 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one.

Molecular Properties

Compound Name5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one
PubChem CID154825670
Molecular FormulaC18H18F4N4O2
Molecular Weight398.36 g/mol
Exact Mass398.14
IUPAC Name5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESO=C1N=NC=C(N2Cc3cc(OC4CCNCC4)cc(F)c3C2)C1C(F)(F)F
InChIInChI=1S/C18H18F4N4O2/c19-14-6-12(28-11-1-3-23-4-2-11)5-10-8-26(9-13(10)14)15-7-24-25-17(27)16(15)18(20,21)22/h5-7,11,16,23H,1-4,8-9H2
InChIKeyUQUNLFJOOVEBOJ-UHFFFAOYSA-N
XLogP3.28
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-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-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one?
The IUPAC name of 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one (CID 154825670) is 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one.
What is the SMILES notation for 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one?
The canonical SMILES for 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one is O=C1N=NC=C(N2Cc3cc(OC4CCNCC4)cc(F)c3C2)C1C(F)(F)F.
What is the InChIKey of 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one?
The InChIKey is UQUNLFJOOVEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O2/c19-14-6-12(28-11-1-3-23-4-2-11)5-10-8-26(9-13(10)14)15-7-24-25-17(27)16(15)18(20,21)22/h5-7,11,16,23H,1-4,8-9H2.
What are the key properties of 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one?
5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one has a molecular weight of 398.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)-4H-pyridazin-3-one is sourced from PubChem (CID 154825670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).