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

C22H23BrN6O2 — CID 122346940

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

(2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122346940) has the molecular formula C22H23BrN6O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122346940
• Molecular Formula: C22H23BrN6O2
• Molecular Weight: 483.37 g/mol
• Exact Mass: 482.11
• IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: COc1ccc(Br)c(C(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1
• InChI: InChI=1S/C22H23BrN6O2/c1-15-7-8-24-20(13-15)25-19-5-6-21(27-26-19)28-9-11-29(12-10-28)22(30)17-14-16(31-2)3-4-18(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)
• InChIKey: GOTCRVLAGNFJBP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.37
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122346940) is (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(Br)c(C(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1.

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

The InChIKey is GOTCRVLAGNFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O2/c1-15-7-8-24-20(13-15)25-19-5-6-21(27-26-19)28-9-11-29(12-10-28)22(30)17-14-16(31-2)3-4-18(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26).

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

(2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 483.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122346940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).