2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone

C184H169Cl8FN42O11 — CID 158183091

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 158183091) has the molecular formula C184H169Cl8FN42O11 and a molecular weight of 3447.28 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone
• PubChem CID: 158183091
• Molecular Formula: C184H169Cl8FN42O11
• Molecular Weight: 3447.28 g/mol
• Exact Mass: 3441.14
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone
• SMILES: C=C1CN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CCN1.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CN(C)CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCOCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)C1
• InChI: InChI=1S/C24H21ClN6O.C24H25ClN6O.C23H19ClFN5O2.C23H20ClN5O2.2C23H22ClN5O.C22H20ClN5O2.C22H20ClN5O/c1-16-14-30(13-12-26-16)19(32)15-31-24-20(22(29-31)17-8-4-2-5-9-17)21(25)23(27-28-24)18-10-6-3-7-11-18;1-30(2)15-9-14-26-19(32)16-31-24-20(22(29-31)17-10-5-3-6-11-17)21(25)23(27-28-24)18-12-7-4-8-13-18;24-20-19-21(16-6-8-17(25)9-7-16)28-30(14-18(31)29-10-12-32-13-11-29)23(19)27-26-22(20)15-4-2-1-3-5-15;24-20-19-21(15-7-3-1-4-8-15)27-29(14-18(31)28-12-11-17(30)13-28)23(19)26-25-22(20)16-9-5-2-6-10-16;2*1-15(2)13-25-18(30)14-29-23-19(21(28-29)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-30-13-12-24-17(29)14-28-22-18(20(27-28)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;1-2-13-24-17(29)14-28-22-18(20(27-28)15-9-5-3-6-10-15)19(23)21(25-26-22)16-11-7-4-8-12-16/h2-11,26H,1,12-15H2;3-8,10-13H,9,14-16H2,1-2H3,(H,26,32);1-9H,10-14H2;1-10,17,30H,11-14H2;2*3-12,15H,13-14H2,1-2H3,(H,25,30);2-11H,12-14H2,1H3,(H,24,29);3-12H,2,13-14H2,1H3,(H,24,29)
• InChIKey: FYVHRGNLJDUTNV-UHFFFAOYSA-N
• XLogP: 31.95
• TPSA: 609.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 45
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3447.28
LogP ≤ 5	31.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone (CID 158183091) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone is C=C1CN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CCN1.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CN(C)CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCOCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)C1.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone?

The InChIKey is FYVHRGNLJDUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O.C24H25ClN6O.C23H19ClFN5O2.C23H20ClN5O2.2C23H22ClN5O.C22H20ClN5O2.C22H20ClN5O/c1-16-14-30(13-12-26-16)19(32)15-31-24-20(22(29-31)17-8-4-2-5-9-17)21(25)23(27-28-24)18-10-6-3-7-11-18;1-30(2)15-9-14-26-19(32)16-31-24-20(22(29-31)17-10-5-3-6-11-17)21(25)23(27-28-24)18-12-7-4-8-13-18;24-20-19-21(16-6-8-17(25)9-7-16)28-30(14-18(31)29-10-12-32-13-11-29)23(19)27-26-22(20)15-4-2-1-3-5-15;24-20-19-21(15-7-3-1-4-8-15)27-29(14-18(31)28-12-11-17(30)13-28)23(19)26-25-22(20)16-9-5-2-6-10-16;2*1-15(2)13-25-18(30)14-29-23-19(21(28-29)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-30-13-12-24-17(29)14-28-22-18(20(27-28)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;1-2-13-24-17(29)14-28-22-18(20(27-28)15-9-5-3-6-10-15)19(23)21(25-26-22)16-11-7-4-8-12-16/h2-11,26H,1,12-15H2;3-8,10-13H,9,14-16H2,1-2H3,(H,26,32);1-9H,10-14H2;1-10,17,30H,11-14H2;2*3-12,15H,13-14H2,1-2H3,(H,25,30);2-11H,12-14H2,1H3,(H,24,29);3-12H,2,13-14H2,1H3,(H,24,29).

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 3447.28 g/mol, XLogP of 31.95, 45 rotatable bonds, 7 hydrogen bond donors, and 45 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-[3-(dimethylamino)propyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-methylidenepiperazin-1-yl)ethanone;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 158183091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).