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

C20H24N8O — CID 122347221

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

1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 122347221) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
• PubChem CID: 122347221
• Molecular Formula: C20H24N8O
• Molecular Weight: 392.47 g/mol
• Exact Mass: 392.21
• IUPAC Name: 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)C(C)n4cccn4)CC3)nn2)n1
• InChI: InChI=1S/C20H24N8O/c1-15-5-3-6-17(22-15)23-18-7-8-19(25-24-18)26-11-13-27(14-12-26)20(29)16(2)28-10-4-9-21-28/h3-10,16H,11-14H2,1-2H3,(H,22,23,24)
• InChIKey: MIXCXLVVPMGXIH-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 122347221) is 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

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

The canonical SMILES for 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is Cc1cccc(Nc2ccc(N3CCN(C(=O)C(C)n4cccn4)CC3)nn2)n1.

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

The InChIKey is MIXCXLVVPMGXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-15-5-3-6-17(22-15)23-18-7-8-19(25-24-18)26-11-13-27(14-12-26)20(29)16(2)28-10-4-9-21-28/h3-10,16H,11-14H2,1-2H3,(H,22,23,24).

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

1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 392.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 122347221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).