4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one

C20H20N4O3 — CID 16676846

About 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one

4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one (PubChem CID 16676846) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one.

Molecular Properties

• Compound Name: 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
• PubChem CID: 16676846
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
• SMILES: Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3c4ccccc4CC3C)n2)o1
• InChI: InChI=1S/C20H20N4O3/c1-12-9-14-5-3-4-6-17(14)24(12)19(25)11-23-20(26)15(21)10-16(22-23)18-8-7-13(2)27-18/h3-8,10,12H,9,11,21H2,1-2H3
• InChIKey: DADZNLVSGMKOGB-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 94.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?

The IUPAC name of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one (CID 16676846) is 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one.

What is the SMILES notation for 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?

The canonical SMILES for 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one is Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3c4ccccc4CC3C)n2)o1.

What is the InChIKey of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?

The InChIKey is DADZNLVSGMKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-9-14-5-3-4-6-17(14)24(12)19(25)11-23-20(26)15(21)10-16(22-23)18-8-7-13(2)27-18/h3-8,10,12H,9,11,21H2,1-2H3.

What are the key properties of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?

4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one is sourced from PubChem (CID 16676846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).