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

C15H13F4N3O2 — CID 146218190

IUPAC4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCOc1cc2c(cc1F)CN(c1cn[nH]c(=O)c1C(F)(F)F)C2C
InChIInChI=1S/C15H13F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-5,7H,6H2,1-2H3,(H,21,23)
InChIKeyHZWIADFJIXIYQZ-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.02
Rot. Bonds2

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

4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 146218190) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID146218190
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC Name4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCOc1cc2c(cc1F)CN(c1cn[nH]c(=O)c1C(F)(F)F)C2C
InChIInChI=1S/C15H13F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-5,7H,6H2,1-2H3,(H,21,23)
InChIKeyHZWIADFJIXIYQZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-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 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 146218190) is 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is COc1cc2c(cc1F)CN(c1cn[nH]c(=O)c1C(F)(F)F)C2C.
What is the InChIKey of 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is HZWIADFJIXIYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-5,7H,6H2,1-2H3,(H,21,23).
What are the key properties of 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 343.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 146218190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).