2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

C85H74Cl4FN21O3 — CID 158901810

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 158901810) has the molecular formula C85H74Cl4FN21O3 and a molecular weight of 1598.48 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 158901810
• Molecular Formula: C85H74Cl4FN21O3
• Molecular Weight: 1598.48 g/mol
• Exact Mass: 1595.50
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
• SMILES: CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CN1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21
• InChI: InChI=1S/C24H23ClN6O.C23H23ClN6O.C20H16ClN5O.C18H12ClFN4/c1-29-12-14-30(15-13-29)19(32)16-31-24-20(22(28-31)17-8-4-2-5-9-17)21(25)23(26-27-24)18-10-6-3-7-11-18;1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-22-15(27)12-26-20-16(18(25-26)13-8-4-2-5-9-13)17(21)19(23-24-20)14-10-6-3-7-11-14;1-24-18-14(16(23-24)11-5-3-2-4-6-11)15(19)17(21-22-18)12-7-9-13(20)10-8-12/h2-11H,12-16H2,1H3;3-12H,13-15H2,1-2H3,(H,25,31);2-11H,12H2,1H3,(H,22,27);2-10H,1H3
• InChIKey: JFNSZHVAYCCOFV-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 259.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.48
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (CID 158901810) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CN1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?

The InChIKey is JFNSZHVAYCCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O.C23H23ClN6O.C20H16ClN5O.C18H12ClFN4/c1-29-12-14-30(15-13-29)19(32)16-31-24-20(22(28-31)17-8-4-2-5-9-17)21(25)23(26-27-24)18-10-6-3-7-11-18;1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-22-15(27)12-26-20-16(18(25-26)13-8-4-2-5-9-13)17(21)19(23-24-20)14-10-6-3-7-11-14;1-24-18-14(16(23-24)11-5-3-2-4-6-11)15(19)17(21-22-18)12-7-9-13(20)10-8-12/h2-11H,12-16H2,1H3;3-12H,13-15H2,1-2H3,(H,25,31);2-11H,12H2,1H3,(H,22,27);2-10H,1H3.

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1598.48 g/mol, XLogP of 15.13, 17 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone;4-chloro-5-(4-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158901810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).