2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone

C25H26N4O — CID 30363670

About 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 30363670) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
• PubChem CID: 30363670
• Molecular Formula: C25H26N4O
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.21
• IUPAC Name: 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
• SMILES: Cc1ccccc1-c1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)nn1
• InChI: InChI=1S/C25H26N4O/c1-18-6-2-4-8-21(18)22-10-11-24(27-26-22)28-15-12-20(13-16-28)25(30)29-17-14-19-7-3-5-9-23(19)29/h2-11,20H,12-17H2,1H3
• InChIKey: YLGXHDBNZAXXFP-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?

The IUPAC name of 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 30363670) is 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.

What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?

The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is Cc1ccccc1-c1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)nn1.

What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?

The InChIKey is YLGXHDBNZAXXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-6-2-4-8-21(18)22-10-11-24(27-26-22)28-15-12-20(13-16-28)25(30)29-17-14-19-7-3-5-9-23(19)29/h2-11,20H,12-17H2,1H3.

What are the key properties of 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?

2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 30363670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).