(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C21H20F2N6O — CID 70702741

About (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 70702741) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 70702741
• Molecular Formula: C21H20F2N6O
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.17
• IUPAC Name: (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)nc1
• InChI: InChI=1S/C21H20F2N6O/c1-14-5-6-17(24-13-14)25-18-7-8-19(27-26-18)28-9-11-29(12-10-28)21(30)20-15(22)3-2-4-16(20)23/h2-8,13H,9-12H2,1H3,(H,24,25,26)
• InChIKey: VXIMIUUJOHXQQP-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 70702741) is (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)nc1.

What is the InChIKey of (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is VXIMIUUJOHXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-14-5-6-17(24-13-14)25-18-7-8-19(27-26-18)28-9-11-29(12-10-28)21(30)20-15(22)3-2-4-16(20)23/h2-8,13H,9-12H2,1H3,(H,24,25,26).

What are the key properties of (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 410.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70702741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).