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

C23H25N7O5 — CID 66954392

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

(5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 66954392) has the molecular formula C23H25N7O5 and a molecular weight of 479.50 g/mol. Its IUPAC name is (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 66954392
• Molecular Formula: C23H25N7O5
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.19
• IUPAC Name: (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(N3CCN(C[C@H]4CN(c5cc6c(nn5)OCCO6)C(=O)O4)CC3)c2n1
• InChI: InChI=1S/C23H25N7O5/c1-32-20-3-2-16-21(25-20)17(4-5-24-16)29-8-6-28(7-9-29)13-15-14-30(23(31)35-15)19-12-18-22(27-26-19)34-11-10-33-18/h2-5,12,15H,6-11,13-14H2,1H3/t15-/m0/s1
• InChIKey: MYBACBBXBOSPMC-HNNXBMFYSA-N
• XLogP: 1.35
• TPSA: 115.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• 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 (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 66954392) is (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CCN(C[C@H]4CN(c5cc6c(nn5)OCCO6)C(=O)O4)CC3)c2n1.

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

The InChIKey is MYBACBBXBOSPMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N7O5/c1-32-20-3-2-16-21(25-20)17(4-5-24-16)29-8-6-28(7-9-29)13-15-14-30(23(31)35-15)19-12-18-22(27-26-19)34-11-10-33-18/h2-5,12,15H,6-11,13-14H2,1H3/t15-/m0/s1.

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

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

Where does this data come from?

All data for (5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).