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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone

C75H75Cl3N18O3 — CID 162046262

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone (PubChem CID 162046262) has the molecular formula C75H75Cl3N18O3 and a molecular weight of 1382.91 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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone.

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 162046262
• Molecular Formula: C75H75Cl3N18O3
• Molecular Weight: 1382.91 g/mol
• Exact Mass: 1380.53
• 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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone
• SMILES: C=C(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN(C)C1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.CN(C)CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C26H25ClN6O.C25H25ClN6O.C24H25ClN6O/c1-18(2)31-13-15-32(16-14-31)21(34)17-33-26-22(24(30-33)19-9-5-3-6-10-19)23(27)25(28-29-26)20-11-7-4-8-12-20;1-30(2)19-13-14-31(15-19)20(33)16-32-25-21(23(29-32)17-9-5-3-6-10-17)22(26)24(27-28-25)18-11-7-4-8-12-18;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/h3-12H,1,13-17H2,2H3;3-12,19H,13-16H2,1-2H3;3-8,10-13H,9,14-16H2,1-2H3,(H,26,32)
• InChIKey: YXXTUUIUIUMKST-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 210.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.91
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone?

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone (CID 162046262) 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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone.

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone?

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone is C=C(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN(C)C1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.CN(C)CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone?

The InChIKey is YXXTUUIUIUMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O.C25H25ClN6O.C24H25ClN6O/c1-18(2)31-13-15-32(16-14-31)21(34)17-33-26-22(24(30-33)19-9-5-3-6-10-19)23(27)25(28-29-26)20-11-7-4-8-12-20;1-30(2)19-13-14-31(15-19)20(33)16-32-25-21(23(29-32)17-9-5-3-6-10-17)22(26)24(27-28-25)18-11-7-4-8-12-18;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/h3-12H,1,13-17H2,2H3;3-12,19H,13-16H2,1-2H3;3-8,10-13H,9,14-16H2,1-2H3,(H,26,32).

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone?

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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1382.91 g/mol, XLogP of 12.35, 18 rotatable bonds, 1 hydrogen bond donors, and 18 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-(dimethylamino)pyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-prop-1-en-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 162046262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).