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

C21H21FN6O — CID 42111756

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

(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42111756) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 42111756
• Molecular Formula: C21H21FN6O
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.18
• IUPAC Name: (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn2)n1
• InChI: InChI=1S/C21H21FN6O/c1-15-3-2-4-18(23-15)24-19-9-10-20(26-25-19)27-11-13-28(14-12-27)21(29)16-5-7-17(22)8-6-16/h2-10H,11-14H2,1H3,(H,23,24,25)
• InChIKey: LMJJVHDFYIMUJA-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 42111756) is (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn2)n1.

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

The InChIKey is LMJJVHDFYIMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-15-3-2-4-18(23-15)24-19-9-10-20(26-25-19)27-11-13-28(14-12-27)21(29)16-5-7-17(22)8-6-16/h2-10H,11-14H2,1H3,(H,23,24,25).

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

(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 392.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42111756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).