4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one

C22H23N5O4 — CID 152911460

About 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one

4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one (PubChem CID 152911460) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one
• PubChem CID: 152911460
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one
• SMILES: COCCCC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
• InChI: InChI=1S/C22H23N5O4/c1-29-10-2-3-18(28)16-4-5-21-24-14-17(27(21)25-16)20-13-15-19(31-20)6-7-23-22(15)26-8-11-30-12-9-26/h4-7,13-14H,2-3,8-12H2,1H3
• InChIKey: UHHCJWBVULXZQW-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 94.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one?

The IUPAC name of 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one (CID 152911460) is 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one.

What is the SMILES notation for 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one?

The canonical SMILES for 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one is COCCCC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1.

What is the InChIKey of 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one?

The InChIKey is UHHCJWBVULXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-29-10-2-3-18(28)16-4-5-21-24-14-17(27(21)25-16)20-13-15-19(31-20)6-7-23-22(15)26-8-11-30-12-9-26/h4-7,13-14H,2-3,8-12H2,1H3.

What are the key properties of 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one?

4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one has a molecular weight of 421.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one is sourced from PubChem (CID 152911460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).