4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one

C24H27N7O5 — CID 156518601

About 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one

4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one (PubChem CID 156518601) has the molecular formula C24H27N7O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one
• PubChem CID: 156518601
• Molecular Formula: C24H27N7O5
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.21
• IUPAC Name: 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one
• SMILES: COCCCC(=O)N1CCc2nc(COc3nn4c(-c5cc(C)on5)nnc4cc3OC)ccc2C1
• InChI: InChI=1S/C24H27N7O5/c1-15-11-19(29-36-15)23-27-26-21-12-20(34-3)24(28-31(21)23)35-14-17-7-6-16-13-30(9-8-18(16)25-17)22(32)5-4-10-33-2/h6-7,11-12H,4-5,8-10,13-14H2,1-3H3
• InChIKey: LOAHDMPYKLDHLJ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 130.00 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one?

The IUPAC name of 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one (CID 156518601) is 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one.

What is the SMILES notation for 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one?

The canonical SMILES for 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one is COCCCC(=O)N1CCc2nc(COc3nn4c(-c5cc(C)on5)nnc4cc3OC)ccc2C1.

What is the InChIKey of 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one?

The InChIKey is LOAHDMPYKLDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-15-11-19(29-36-15)23-27-26-21-12-20(34-3)24(28-31(21)23)35-14-17-7-6-16-13-30(9-8-18(16)25-17)22(32)5-4-10-33-2/h6-7,11-12H,4-5,8-10,13-14H2,1-3H3.

What are the key properties of 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one?

4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one has a molecular weight of 493.52 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one is sourced from PubChem (CID 156518601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).