3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one

C23H25ClN6O — CID 122347171

About 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 122347171) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 122347171
• Molecular Formula: C23H25ClN6O
• Molecular Weight: 436.95 g/mol
• Exact Mass: 436.18
• IUPAC Name: 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nn2)n1
• InChI: InChI=1S/C23H25ClN6O/c1-17-4-2-7-20(25-17)26-21-9-10-22(28-27-21)29-12-14-30(15-13-29)23(31)11-8-18-5-3-6-19(24)16-18/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26,27)
• InChIKey: PGMYLKBWYDAGBN-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.95
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 122347171) is 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one is Cc1cccc(Nc2ccc(N3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nn2)n1.

What is the InChIKey of 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The InChIKey is PGMYLKBWYDAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-17-4-2-7-20(25-17)26-21-9-10-22(28-27-21)29-12-14-30(15-13-29)23(31)11-8-18-5-3-6-19(24)16-18/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26,27).

What are the key properties of 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?

3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 436.95 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122347171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).