2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine

C82H65Cl4F2N17O4 — CID 158118325

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 158118325) has the molecular formula C82H65Cl4F2N17O4 and a molecular weight of 1532.34 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 158118325
• Molecular Formula: C82H65Cl4F2N17O4
• Molecular Weight: 1532.34 g/mol
• Exact Mass: 1529.41
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine
• SMILES: CC(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2C1COC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC(F)(F)C1
• InChI: InChI=1S/C22H16ClF2N5O.C20H15ClN4O.2C20H17ClN4O/c23-18-17-19(14-7-3-1-4-8-14)28-30(11-16(31)29-12-22(24,25)13-29)21(17)27-26-20(18)15-9-5-2-6-10-15;21-17-16-18(13-7-3-1-4-8-13)24-25(15-11-26-12-15)20(16)23-22-19(17)14-9-5-2-6-10-14;1-26-13-12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13(26)12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15/h1-10H,11-13H2;1-10,15H,11-12H2;2-11H,12-13H2,1H3;2-11,13,26H,12H2,1H3
• InChIKey: FRHJOCVVDDDWRU-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 233.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.34
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 158118325) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine is CC(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2C1COC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC(F)(F)C1.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The InChIKey is FRHJOCVVDDDWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N5O.C20H15ClN4O.2C20H17ClN4O/c23-18-17-19(14-7-3-1-4-8-14)28-30(11-16(31)29-12-22(24,25)13-29)21(17)27-26-20(18)15-9-5-2-6-10-15;21-17-16-18(13-7-3-1-4-8-13)24-25(15-11-26-12-15)20(16)23-22-19(17)14-9-5-2-6-10-14;1-26-13-12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13(26)12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15/h1-10H,11-13H2;1-10,15H,11-12H2;2-11H,12-13H2,1H3;2-11,13,26H,12H2,1H3.

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1532.34 g/mol, XLogP of 17.33, 16 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158118325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).