4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one

C21H19FN4O3 — CID 167606964

About 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one

4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one (PubChem CID 167606964) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one
• PubChem CID: 167606964
• Molecular Formula: C21H19FN4O3
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.14
• IUPAC Name: 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one
• SMILES: C=C1C=CC(N2Cc3c(ccc(OCc4ccc(OC)cn4)c3F)C2=O)=NN1C
• InChI: InChI=1S/C21H19FN4O3/c1-13-4-9-19(24-25(13)2)26-11-17-16(21(26)27)7-8-18(20(17)22)29-12-14-5-6-15(28-3)10-23-14/h4-10H,1,11-12H2,2-3H3
• InChIKey: FPILKGZIGNVYPI-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 67.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one?

The IUPAC name of 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one (CID 167606964) is 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one.

What is the SMILES notation for 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one?

The canonical SMILES for 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one is C=C1C=CC(N2Cc3c(ccc(OCc4ccc(OC)cn4)c3F)C2=O)=NN1C.

What is the InChIKey of 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one?

The InChIKey is FPILKGZIGNVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-13-4-9-19(24-25(13)2)26-11-17-16(21(26)27)7-8-18(20(17)22)29-12-14-5-6-15(28-3)10-23-14/h4-10H,1,11-12H2,2-3H3.

What are the key properties of 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one?

4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one has a molecular weight of 394.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 167606964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).