3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C29H22ClF7N8O3 — CID 175953173

About 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 175953173) has the molecular formula C29H22ClF7N8O3 and a molecular weight of 698.99 g/mol. Its IUPAC name is 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• PubChem CID: 175953173
• Molecular Formula: C29H22ClF7N8O3
• Molecular Weight: 698.99 g/mol
• Exact Mass: 698.14
• IUPAC Name: 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• SMILES: Fc1cc(Cl)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4noc(C(F)(F)F)n4)nnc3n1C[C@@H]1CCO1)C2
• InChI: InChI=1S/C29H22ClF7N8O3/c30-16-2-1-15(19(31)8-16)13-47-26-18(28(32,33)34)7-14-3-5-44(11-22(14)39-26)12-23-38-21-9-20(24-40-27(48-43-24)29(35,36)37)41-42-25(21)45(23)10-17-4-6-46-17/h1-2,7-9,17H,3-6,10-13H2/t17-/m0/s1
• InChIKey: ZULIQQQTWCNUBX-KRWDZBQOSA-N
• XLogP: 6.03
• TPSA: 117.11 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	698.99
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The IUPAC name of 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 175953173) is 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

What is the SMILES notation for 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The canonical SMILES for 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Fc1cc(Cl)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4noc(C(F)(F)F)n4)nnc3n1C[C@@H]1CCO1)C2.

What is the InChIKey of 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The InChIKey is ZULIQQQTWCNUBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C29H22ClF7N8O3/c30-16-2-1-15(19(31)8-16)13-47-26-18(28(32,33)34)7-14-3-5-44(11-22(14)39-26)12-23-38-21-9-20(24-40-27(48-43-24)29(35,36)37)41-42-25(21)45(23)10-17-4-6-46-17/h1-2,7-9,17H,3-6,10-13H2/t17-/m0/s1.

What are the key properties of 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 698.99 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 175953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).