4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C22H24N6O3 — CID 126911442

About 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 126911442) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
• PubChem CID: 126911442
• Molecular Formula: C22H24N6O3
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.19
• IUPAC Name: 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
• SMILES: COc1ccc2nnc(C3CCN(C(=O)C4CC(=O)N(c5ccccc5)C4)CC3)n2n1
• InChI: InChI=1S/C22H24N6O3/c1-31-19-8-7-18-23-24-21(28(18)25-19)15-9-11-26(12-10-15)22(30)16-13-20(29)27(14-16)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3
• InChIKey: OHJXTMUGEXAWOK-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 92.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 126911442) is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

What is the SMILES notation for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The canonical SMILES for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is COc1ccc2nnc(C3CCN(C(=O)C4CC(=O)N(c5ccccc5)C4)CC3)n2n1.

What is the InChIKey of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The InChIKey is OHJXTMUGEXAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-31-19-8-7-18-23-24-21(28(18)25-19)15-9-11-26(12-10-15)22(30)16-13-20(29)27(14-16)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3.

What are the key properties of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 126911442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).