3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole

C44H46N14O7 — CID 156518612

About 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole

3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole (PubChem CID 156518612) has the molecular formula C44H46N14O7 and a molecular weight of 882.94 g/mol. Its IUPAC name is 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole
• PubChem CID: 156518612
• Molecular Formula: C44H46N14O7
• Molecular Weight: 882.94 g/mol
• Exact Mass: 882.37
• IUPAC Name: 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole
• SMILES: COc1cc2nnc(-c3cc(CCOc4cc5nnc(-c6cc(C)on6)n5nc4OCc4ccc5c(n4)CCN(C(C)C)C5)on3)n2nc1OCc1ccc2c(n1)CCN(C1COC1)C2
• InChI: InChI=1S/C44H46N14O7/c1-25(2)55-12-9-33-27(19-55)5-7-30(45-33)22-63-44-38(18-40-48-49-41(58(40)52-44)35-15-26(3)64-53-35)61-14-11-32-16-36(54-65-32)42-50-47-39-17-37(59-4)43(51-57(39)42)62-21-29-8-6-28-20-56(31-23-60-24-31)13-10-34(28)46-29/h5-8,15-18,25,31H,9-14,19-24H2,1-4H3
• InChIKey: GMVMBCRDSFGAFF-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 216.63 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.94
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole?

The IUPAC name of 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole (CID 156518612) is 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole.

What is the SMILES notation for 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole?

The canonical SMILES for 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole is COc1cc2nnc(-c3cc(CCOc4cc5nnc(-c6cc(C)on6)n5nc4OCc4ccc5c(n4)CCN(C(C)C)C5)on3)n2nc1OCc1ccc2c(n1)CCN(C1COC1)C2.

What is the InChIKey of 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole?

The InChIKey is GMVMBCRDSFGAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N14O7/c1-25(2)55-12-9-33-27(19-55)5-7-30(45-33)22-63-44-38(18-40-48-49-41(58(40)52-44)35-15-26(3)64-53-35)61-14-11-32-16-36(54-65-32)42-50-47-39-17-37(59-4)43(51-57(39)42)62-21-29-8-6-28-20-56(31-23-60-24-31)13-10-34(28)46-29/h5-8,15-18,25,31H,9-14,19-24H2,1-4H3.

What are the key properties of 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole?

3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole has a molecular weight of 882.94 g/mol, XLogP of 4.28, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 156518612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).