6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C22H23N7O2 — CID 162386759

About 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 162386759) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
• PubChem CID: 162386759
• Molecular Formula: C22H23N7O2
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.19
• IUPAC Name: 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2ccc(CC(=O)N3CCN(c4ccc5nnc(C6CC6)n5n4)CC3)cc2N1
• InChI: InChI=1S/C22H23N7O2/c30-20-13-16-2-1-14(11-17(16)23-20)12-21(31)28-9-7-27(8-10-28)19-6-5-18-24-25-22(15-3-4-15)29(18)26-19/h1-2,5-6,11,15H,3-4,7-10,12-13H2,(H,23,30)
• InChIKey: LLDQZEIJAHYIEZ-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 95.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

The IUPAC name of 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 162386759) is 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is O=C1Cc2ccc(CC(=O)N3CCN(c4ccc5nnc(C6CC6)n5n4)CC3)cc2N1.

What is the InChIKey of 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

The InChIKey is LLDQZEIJAHYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c30-20-13-16-2-1-14(11-17(16)23-20)12-21(31)28-9-7-27(8-10-28)19-6-5-18-24-25-22(15-3-4-15)29(18)26-19/h1-2,5-6,11,15H,3-4,7-10,12-13H2,(H,23,30).

What are the key properties of 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 417.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 162386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).