7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide

C20H19N5O4 — CID 71790893

About 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71790893) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 71790893
• Molecular Formula: C20H19N5O4
• Molecular Weight: 393.40 g/mol
• Exact Mass: 393.14
• IUPAC Name: 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)NCCn3nc(-n4ccnc4C)ccc3=O)oc12
• InChI: InChI=1S/C20H19N5O4/c1-13-21-8-10-24(13)17-6-7-18(26)25(23-17)11-9-22-20(27)16-12-14-4-3-5-15(28-2)19(14)29-16/h3-8,10,12H,9,11H2,1-2H3,(H,22,27)
• InChIKey: SBKHHCTZSXAKFT-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 104.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.40
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide (CID 71790893) is 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCn3nc(-n4ccnc4C)ccc3=O)oc12.

What is the InChIKey of 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The InChIKey is SBKHHCTZSXAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-13-21-8-10-24(13)17-6-7-18(26)25(23-17)11-9-22-20(27)16-12-14-4-3-5-15(28-2)19(14)29-16/h3-8,10,12H,9,11H2,1-2H3,(H,22,27).

What are the key properties of 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide?

7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71790893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).