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

C21H21BrN6O — CID 121064734

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

(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121064734) has the molecular formula C21H21BrN6O and a molecular weight of 453.34 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 121064734
• Molecular Formula: C21H21BrN6O
• Molecular Weight: 453.34 g/mol
• Exact Mass: 452.10
• IUPAC Name: (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nn2)c1
• InChI: InChI=1S/C21H21BrN6O/c1-15-8-9-23-19(14-15)24-18-6-7-20(26-25-18)27-10-12-28(13-11-27)21(29)16-4-2-3-5-17(16)22/h2-9,14H,10-13H2,1H3,(H,23,24,25)
• InChIKey: CHJNQRXALVDJOK-UHFFFAOYSA-N
• XLogP: 3.65
• 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	453.34
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 121064734) is (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nn2)c1.

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

The InChIKey is CHJNQRXALVDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O/c1-15-8-9-23-19(14-15)24-18-6-7-20(26-25-18)27-10-12-28(13-11-27)21(29)16-4-2-3-5-17(16)22/h2-9,14H,10-13H2,1H3,(H,23,24,25).

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

(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 453.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121064734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).