3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one

C23H25N7O5 — CID 66954180

About 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one

3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 66954180) has the molecular formula C23H25N7O5 and a molecular weight of 479.50 g/mol. Its IUPAC name is 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 66954180
• Molecular Formula: C23H25N7O5
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.19
• IUPAC Name: 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(N3CC(N(C)CC4CN(c5cc6c(nn5)OCCO6)C(=O)O4)C3)c2n1
• InChI: InChI=1S/C23H25N7O5/c1-28(14-10-29(11-14)17-5-6-24-16-3-4-20(32-2)25-21(16)17)12-15-13-30(23(31)35-15)19-9-18-22(27-26-19)34-8-7-33-18/h3-6,9,14-15H,7-8,10-13H2,1-2H3
• InChIKey: UHSZCYAGJNAREP-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 115.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one (CID 66954180) is 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CC(N(C)CC4CN(c5cc6c(nn5)OCCO6)C(=O)O4)C3)c2n1.

What is the InChIKey of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?

The InChIKey is UHSZCYAGJNAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O5/c1-28(14-10-29(11-14)17-5-6-24-16-3-4-20(32-2)25-21(16)17)12-15-13-30(23(31)35-15)19-9-18-22(27-26-19)34-8-7-33-18/h3-6,9,14-15H,7-8,10-13H2,1-2H3.

What are the key properties of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?

3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 479.50 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).