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

C22H19N3O4 — CID 121051181

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

6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 121051181) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
• PubChem CID: 121051181
• Molecular Formula: C22H19N3O4
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.14
• IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
• SMILES: CC1Cc2ccccc2N1C(=O)Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O
• InChI: InChI=1S/C22H19N3O4/c1-14-10-16-4-2-3-5-18(16)25(14)22(27)12-24-21(26)9-7-17(23-24)15-6-8-19-20(11-15)29-13-28-19/h2-9,11,14H,10,12-13H2,1H3
• InChIKey: UWLYKSJECWYBPY-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one (CID 121051181) is 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one.

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

The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one is CC1Cc2ccccc2N1C(=O)Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O.

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

The InChIKey is UWLYKSJECWYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-10-16-4-2-3-5-18(16)25(14)22(27)12-24-21(26)9-7-17(23-24)15-6-8-19-20(11-15)29-13-28-19/h2-9,11,14H,10,12-13H2,1H3.

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

6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 389.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 121051181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).