3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C24H27N7O4 — CID 156518802

About 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 156518802) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
• PubChem CID: 156518802
• Molecular Formula: C24H27N7O4
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.21
• IUPAC Name: 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
• SMILES: COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1cccc(C2CCCN(C3COC3)C2)n1
• InChI: InChI=1S/C24H27N7O4/c1-15-9-20(29-35-15)23-27-26-22-10-21(32-2)24(28-31(22)23)34-12-17-6-3-7-19(25-17)16-5-4-8-30(11-16)18-13-33-14-18/h3,6-7,9-10,16,18H,4-5,8,11-14H2,1-2H3
• InChIKey: BQTFPOSYWOCXDF-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 112.93 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?

The IUPAC name of 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 156518802) is 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

What is the SMILES notation for 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?

The canonical SMILES for 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1cccc(C2CCCN(C3COC3)C2)n1.

What is the InChIKey of 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?

The InChIKey is BQTFPOSYWOCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-15-9-20(29-35-15)23-27-26-22-10-21(32-2)24(28-31(22)23)34-12-17-6-3-7-19(25-17)16-5-4-8-30(11-16)18-13-33-14-18/h3,6-7,9-10,16,18H,4-5,8,11-14H2,1-2H3.

What are the key properties of 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?

3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 477.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156518802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).