2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C96H89Cl4F3N22O7S — CID 162149691

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 162149691) has the molecular formula C96H89Cl4F3N22O7S and a molecular weight of 1893.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
• PubChem CID: 162149691
• Molecular Formula: C96H89Cl4F3N22O7S
• Molecular Weight: 1893.79 g/mol
• Exact Mass: 1890.57
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
• SMILES: CN(C)CCN(C)C(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCN(CC(F)(F)F)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C25H22ClF3N6O.C24H25ClN6O.C24H22ClN5O2.C23H20ClN5O3S/c26-21-20-22(17-7-3-1-4-8-17)32-35(24(20)31-30-23(21)18-9-5-2-6-10-18)15-19(36)34-13-11-33(12-14-34)16-25(27,28)29;1-29(2)14-15-30(3)19(32)16-31-24-20(22(28-31)17-10-6-4-7-11-17)21(25)23(26-27-24)18-12-8-5-9-13-18;25-21-20-22(16-7-3-1-4-8-16)28-30(15-19(32)29-13-11-18(31)12-14-29)24(20)27-26-23(21)17-9-5-2-6-10-17;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-33(31,32)14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17/h1-10H,11-16H2;4-13H,14-16H2,1-3H3;1-10,18,31H,11-15H2;1-10H,11-15H2
• InChIKey: ZLAKKHOQHFBQDN-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 316.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.79
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 162149691) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is CN(C)CCN(C)C(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCN(CC(F)(F)F)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCS(=O)(=O)CC1.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?

The InChIKey is ZLAKKHOQHFBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N6O.C24H25ClN6O.C24H22ClN5O2.C23H20ClN5O3S/c26-21-20-22(17-7-3-1-4-8-17)32-35(24(20)31-30-23(21)18-9-5-2-6-10-18)15-19(36)34-13-11-33(12-14-34)16-25(27,28)29;1-29(2)14-15-30(3)19(32)16-31-24-20(22(28-31)17-10-6-4-7-11-17)21(25)23(26-27-24)18-12-8-5-9-13-18;25-21-20-22(16-7-3-1-4-8-16)28-30(15-19(32)29-13-11-18(31)12-14-29)24(20)27-26-23(21)17-9-5-2-6-10-17;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-33(31,32)14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17/h1-10H,11-16H2;4-13H,14-16H2,1-3H3;1-10,18,31H,11-15H2;1-10H,11-15H2.

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 1893.79 g/mol, XLogP of 15.22, 20 rotatable bonds, 1 hydrogen bond donors, and 25 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]-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 162149691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).