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5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

C19H20F4N4O3 — CID 154825687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESO=C1N=NC=C(N2Cc3cc(F)c(OCCN4CCOCC4)cc3C2)C1C(F)(F)F
InChIInChI=1S/C19H20F4N4O3/c20-14-7-12-10-27(15-9-24-25-18(28)17(15)19(21,22)23)11-13(12)8-16(14)30-6-3-26-1-4-29-5-2-26/h7-9,17H,1-6,10-11H2
InChIKeyOOLHZZKRVLUEQQ-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.86
Rot. Bonds5

About 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (PubChem CID 154825687) has the molecular formula C19H20F4N4O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.

Molecular Properties

Compound Name5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
PubChem CID154825687
Molecular FormulaC19H20F4N4O3
Molecular Weight428.39 g/mol
Exact Mass428.15
IUPAC Name5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESO=C1N=NC=C(N2Cc3cc(F)c(OCCN4CCOCC4)cc3C2)C1C(F)(F)F
InChIInChI=1S/C19H20F4N4O3/c20-14-7-12-10-27(15-9-24-25-18(28)17(15)19(21,22)23)11-13(12)8-16(14)30-6-3-26-1-4-29-5-2-26/h7-9,17H,1-6,10-11H2
InChIKeyOOLHZZKRVLUEQQ-UHFFFAOYSA-N
XLogP2.86
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The IUPAC name of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (CID 154825687) is 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.
What is the SMILES notation for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The canonical SMILES for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is O=C1N=NC=C(N2Cc3cc(F)c(OCCN4CCOCC4)cc3C2)C1C(F)(F)F.
What is the InChIKey of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The InChIKey is OOLHZZKRVLUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3/c20-14-7-12-10-27(15-9-24-25-18(28)17(15)19(21,22)23)11-13(12)8-16(14)30-6-3-26-1-4-29-5-2-26/h7-9,17H,1-6,10-11H2.
What are the key properties of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one has a molecular weight of 428.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is sourced from PubChem (CID 154825687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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